NPASS Compound

Natural Product: NPC260909

Natural Product ID	NPC260909
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	Vincristine
IUPAC Name	n.a.
Synonyms	Vincristine
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL90555
PubChem CID	5978
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000279] Alkaloids and derivatives [CHEMONTID:0002756] Vinca alkaloids

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

Chemical Representations

RDKit 3D 116124 0 0 0 0 0 0 0 0999 V2000 8.7723 1.6071 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1459 1.2200 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 0.4854 -0.2926 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7906 1.3116 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 1.1212 -0.2021 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2375 1.5382 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 0.4475 -0.8286 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8686 0.9520 -0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 0.2614 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3963 0.6731 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8177 1.8015 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 2.5087 -1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 2.0864 -1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 2.8220 -2.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 3.9859 -2.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2416 2.0408 -0.2114 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 2.8152 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 3.3079 -2.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 1.3449 1.0154 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5747 0.1275 0.8885 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1602 -0.3287 2.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 -1.8623 2.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2867 -2.0527 1.3096 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 -3.3320 0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8662 -3.3162 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2929 -2.1803 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4889 -0.9287 -0.4231 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3254 -0.7416 -1.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -1.9432 -2.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 -1.0589 0.2633 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3889 0.1864 0.0707 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8437 0.8717 1.2898 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7749 1.8289 1.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 1.5353 2.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1613 3.0521 1.3641 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0798 3.8591 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7884 -0.1942 2.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6638 -0.3486 0.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8579 -0.0089 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8689 0.8231 -1.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1455 -0.5800 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4101 -0.7806 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8097 -0.9925 1.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 -0.0575 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6014 0.0682 2.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5392 0.7126 1.8341 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 1.8107 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3512 -0.0726 1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7972 -2.3847 1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -3.2189 2.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9931 -4.6027 2.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -5.1931 1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 -4.3615 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3922 -2.9901 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 -2.0065 -0.5797 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4274 0.1615 -2.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5247 0.4366 -3.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 -0.4112 -2.8451 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7787 -0.6995 -4.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0923 -0.6018 -1.1275 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4674 0.8339 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 2.5080 -1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 1.9074 -2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9221 0.5841 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0759 2.1204 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0457 2.3900 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 1.0304 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 -0.0057 -0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3538 2.1881 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 2.2547 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 -0.6326 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2366 3.4256 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 4.7987 -2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 4.3850 -3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 3.7601 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0387 3.0365 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 1.9533 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 0.1121 3.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 -0.1306 2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5731 -2.1533 3.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 -2.3203 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -4.1538 1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7937 -3.5648 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4997 -4.2017 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3293 -2.1404 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 0.1944 -2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -0.7528 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9796 -2.8785 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 -1.8291 -2.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 -1.9841 -3.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 -1.4837 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6366 0.8566 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6472 4.5513 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4894 4.5342 2.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7512 3.2486 2.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7357 -0.3396 2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7046 0.1872 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7606 -0.9783 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9017 -1.4221 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6444 0.8826 2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6558 -0.4088 3.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 0.5111 3.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 -0.9940 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1612 2.3312 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 2.5723 0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2989 -0.2856 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 -1.1005 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 -2.8052 3.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 -5.2260 3.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -6.2736 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -4.8303 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8205 -2.2367 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 -1.2098 -4.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 0.2811 -4.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 -1.2934 -4.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8163 -0.3591 -1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 11 16 1 0 16 17 1 0 17 18 2 0 16 19 1 0 19 20 1 0 20 21 1 1 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 6 28 29 1 0 27 30 1 0 27 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 32 37 1 1 31 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 7 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 43 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 54 55 1 0 7 56 1 6 56 57 2 0 56 58 1 0 58 59 1 0 3 60 1 6 48 3 1 0 54 49 1 0 47 5 1 0 13 8 1 0 32 19 1 0 55 42 1 0 20 10 1 0 30 23 1 0 30 20 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 4 66 1 0 4 67 1 0 5 68 1 1 6 69 1 0 6 70 1 0 9 71 1 0 12 72 1 0 15 73 1 0 15 74 1 0 15 75 1 0 17 76 1 0 19 77 1 1 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 26 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 29 90 1 0 30 91 1 6 31 92 1 6 36 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 44100 1 0 44101 1 0 45102 1 0 45103 1 0 47104 1 0 47105 1 0 48106 1 0 48107 1 0 50108 1 0 51109 1 0 52110 1 0 53111 1 0 55112 1 0 59113 1 0 59114 1 0 59115 1 0 60116 1 0 M END

Standard InCHIKey	OGWKCGZFUXNPDA-XQKSVPLYSA-N
Standard InCHI	InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
SMILES	CC[C@@]1(C[C@@H]2C[C@](c3cc4c(cc3OC)N(C=O)[C@@H]3[C@@]54CCN4CC=C[C@](CC)([C@@H]54)[C@H]([C@@]3(C(=O)OC)O)OC(=O)C)(c3c(CCN(C2)C1)c1ccccc1[nH]3)C(=O)OC)O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	824.4	Volume:	827.415 ? Van der Waals volume.
Dense:	0.996	LogP:	2.88 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	2.722 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-4.301 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	11.0	Rigid Bonds:	49.0
TPSA:	171.17 ? Topological Polar Surface Area.	H-Bond Acceptor:	14.0
H-Bond Donor:	3.0	Rings:	9.0
Heavy Atoms:	14.0

MedChem Properties

QED Drug-Likeness Score:	0.131	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	7.261	Fsp³:	0.565
MCE-18:	270.0 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Rejected	GSK Rule:	Accepted
Golden Triangle Rule:	Accepted	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.364	Fluc inhibitor:	0.005 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.699 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.868 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.001	Promiscuous compounds:	0.994

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-6.168	MDCK Permeability:	-5.21
Pgp-inhibitor:	0.0	Pgp-substrate:	1.0
PAMPA:	0.237 ? The experimental data for Peff was logarithmically transformed (logPeff). Molecules with log Peff values below 2.0 were classified as low-permeability (Category 0), while those with log Peff values exceeding 2.5 were classified as high-permeability (Category 1).	Human Intestinal Absorption (HIA):	0.0
20% Bioavailability (F20%):	0.184	30% Bioavailability (F30%):	0.939
50% Bioavailability (F50%):	0.998

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.697	MRP1:	1.0
Plasma Protein Binding (PPB):	64.325%	Volume Distribution (VD):	0.38
Fu:	33.31% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.465
OATP1B3 inhibitor:	0.228	BCRP inhibitor:	0.791
BSEP inhibitor:	0.997

ADMET: Metabolism

CYP1A2-inhibitor:	0.999	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	1.0	CYP2C19-substrate:	0.0
CYP2C9-inhibitor:	0.0	CYP2C9-substrate:	0.028
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	1.0
CYP3A4-inhibitor:	1.0	CYP3A4-substrate:	0.888
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	0.858
HLM stability:	0.919 ? Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):

3.294

Half-life (T1/2):

1.633

ADMET: Toxicity

hERG Blockers:	0.556	hERG Blockers (10um):	0.153
Human Hepatotoxicity (H-HT):	0.918	Drug-induced Liver Injury (DILI):	0.722
AMES Toxicity:	0.577	Rat Oral Acute Toxicity:	0.864
Maximum Recommended Daily Dose:	1.0	Skin Sensitization:	1.0
Carcinogencity:	0.225	Eye Corrosion:	0.0
Eye Irritation:	0.0	Respiratory Toxicity:	0.997
Drug-induced Neurotoxicity:	0.904	Ototoxicity:	0.901
Hematotoxicity:	0.716	Drug-induced Nephrotoxicity:	1.0
Genotoxicity:	1.0	RPMI-8226 Immunitoxicity:	0.623
A549 Cytotoxicity:	0.99	Hek293 Cytotoxicity:	0.945
BCF:	0.581 ? Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].	IGC50:	3.861 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	5.641 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	4.889 ? 96 hour fathead minnow LC50. The unit of LC50FM is -log10[(mg/L)/(1000*MW)].

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO64916	Catharanthus roseus + Fusarium oxysporum symbiont	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[ 24066024]
NPO64872	Catharanthus roseus + Talaromyces radicus symbiont	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[ 26697875]
NPO64694	Catharanthus roseus + Eutypella spp. symbiont	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[ 27550200]
NPO64890	Nerium indicum + Geomyces sp. symbiont	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[ 27664729]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[ 3619437]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1002/btpr.97]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s11738-010-0631-6]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.plaphy.2018.10.015]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1080/17429145.2017.1293852]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1186/1750-2187-3-9]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12628396]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18778099]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	leaf	n.a.	PMID[18778099]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	Hairy roots	n.a.	n.a.	PMID[19271765]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[24773071]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	stem-bark	Pahang, Malaysia	2003-JUN	PMID[25919190]
NPO40245	Nocardiopsis lucentensis DSM 44048	Strain	Nocardiopsaceae	Bacteria	n.a.	n.a.	n.a.	PMID[26270803]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26285573]
NPO8665	Kopsia pauciflora	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26717050]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26918761]
NPO10899	Ophioparma ventosa	Species	Ophioparmaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26934105]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27077800]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29319316]
NPO40779	Alstonia penangiana	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29746134]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30869890]
NPO40245	Nocardiopsis lucentensis DSM 44048	Strain	Nocardiopsaceae	Bacteria	n.a.	n.a.	n.a.	PMID[30958679]
NPO40779	Alstonia penangiana	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31642315]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32356659]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6619887]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6631435]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7264679]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7264682]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7320741]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10899	Ophioparma ventosa	Species	Ophioparmaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40779	Alstonia penangiana	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8665	Kopsia pauciflora	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40245	Nocardiopsis lucentensis DSM 44048	Strain	Nocardiopsaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8665	Kopsia pauciflora	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9376	Tabernaemontana corymbosa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO10899	Ophioparma ventosa	Species	Ophioparmaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5881	Catharanthus roseus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	Organism Name	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
Potency	41
IC50	358
GTPase Activity	2
Inhibition	15
Activity	165
Ratio_Papp	1
Ratio_ATPase activity	1
% maximum response	1
Ki1	1
Ki2	1
Ki	5
Ratio IC50	46
AC50	40
FC	1
EC50	17
ILS	29
Log CR	1
GI50	37
MI0.5	2
Ratio	2
Combination_index	4
Mitotic index	1
T/C	6
LTS	1
ED50	14
Ratio ED50	1
IZ	5
Selectivity Index	1
RatioGI50	3
Composite Activity - Active	1
Composite Activity - Marginal	1
HepSE_bilirubinemia	1
HepSE_cholecystitis	1
HepSE_cholelithiasis	1
HepSE_cirrhosis	1
HepSE_hepatic failure	1
HepSE_hepatic necrosis	1
HepSE_hepatomegaly	1
HepSE_jaundice	2
HepSE_liver fatty	1
HepSE_liver function tests abnormal	1
HepSE_Combined Scores	1
TGI	11
Hepatotoxicity (acute)	1
GI	19
Hit score	1
ID50	1
CC50	5
HepSE_liver disease	1
Hepatotoxicity (moderate)	2
Hepatotoxicity (granulomatous hepatitis)	1
Hepatotoxicity (benign tumour)	1
Pc	1
Survivors	40
Median T/C	2
Range	2
HepSE_elevated liver function tests	1
HepSE_hepatitis	1
ALT	4
ALB	4
ALP	4
AST	4
BUN	4
CO2	4
CHLORIDE	4
CHOL	4
CK	4
CREAT	4
GLUC	4
LDH	4
LIPASE	4
PHOS	4
POTASSIUM	4
SODIUM	4
BILI	4
PROT	4
URATE	4
BASO	4
EOS	4
LYM	4
MONO	4
NEUTSG	4
BASOLE	4
EOSLE	4
RBC	4
HCT	4
HGB	4
WBC	4
LYMLE	4
MCH	4
MCHC	4
MCV	4
MONOLE	4
NEUTLE	4
RBCNUC	4
PLAT	4
Fabs	1

Activity Type	# Activity
Individual protein	71
Cell line	413
Protein complex	11
Protein family	8
Protein complex group	1
Organism	238
Unchecked	26
Nucleic acid	2
Others	148
Non-molecular	124
Phenotype	17

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT153	Individual protein	Androgen Receptor	Homo sapiens	Potency	n.a.	33.8	nM	PubChem BioAssay data set
NPT2698	Individual protein	Beta tubulin	Leishmania donovani	IC50	<	1000.0	nM	PMID[15546733]
NPT2698	Individual protein	Beta tubulin	Leishmania donovani	Inhibition	=	83.0	%	PMID[15546733]
NPT1197	Individual protein	Huntingtin	Homo sapiens	Potency	=	17.8	nM	PubChem BioAssay data set
NPT154	Individual protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency	n.a.	562.3	nM	PubChem BioAssay data set
NPT304	Individual protein	Canalicular multispecific organic anion transporter 1	Rattus norvegicus	Activity	=	42.0	%	PMID[2172249]
NPT2850	Individual protein	Multidrug resistance associated protein	Homo sapiens	Activity	=	39.1	%	PMID[11585759]
NPT1594	Individual protein	Multidrug resistance-associated protein 1	Homo sapiens	IC50	=	70000.0	nM	PMID[8621644]
NPT10	Individual protein	Geminin	Homo sapiens	Potency	n.a.	298.6	nM	PubChem BioAssay data set
NPT1410	Individual protein	GABA receptor alpha-1 subunit	Rattus norvegicus	AC50	>	30000.0	nM	PMID[37468498]
NPT263	Individual protein	Muscarinic acetylcholine receptor M2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT291	Individual protein	Serotonin 2b (5-HT2b) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	AC50	=	11157.6	nM	PMID[37468498]
NPT153	Individual protein	Androgen Receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	AC50	=	5726.0	nM	PMID[37468498]
NPT1788	Individual protein	Alpha-1a adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT295	Individual protein	Serotonin transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT262	Individual protein	Muscarinic acetylcholine receptor M1	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT2761	Individual protein	Phosphodiesterase 4A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT2769	Individual protein	Thromboxane A2 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT244	Individual protein	Dopamine D3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT242	Individual protein	Dopamine D1 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT222	Individual protein	Alpha-2a adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT261	Individual protein	Monoamine oxidase A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT228	Individual protein	Norepinephrine transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT218	Individual protein	Adenosine A3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT246	Individual protein	Dopamine transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT781	Individual protein	Tubulin alpha chain	Sus scrofa	IC50	=	220.0	nM	DOI[10.1016/S0960-894X(00)80225-5]
NPT782	Protein family	Tubulin	Bos taurus	IC50	=	1800.0	nM	PMID[9554885]
NPT483	Individual protein	Prelamin-A/C	Homo sapiens	Potency	=	1.1	nM	PubChem BioAssay data set
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Ki	=	9800.0	nM	PMID[22541068]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	IC50	=	11000.0	nM	PMID[22541068]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	59.8	%	PMID[22541068]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	65.1	%	PMID[25618019]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Ki	=	17600.0	nM	PMID[25618019]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	IC50	=	36780.0	nM	PMID[25618019]
NPT987	Individual protein	Histamine H3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT3597	Individual protein	Tubulin beta chain	Bos taurus	GTPase Activity	=	0.09	n.a.	PMID[11741473]
NPT3597	Individual protein	Tubulin beta chain	Bos taurus	GTPase Activity	=	5.3	n.a.	PMID[11741473]
NPT317	Nucleic acid	Nucleic Acid	n.a.	Activity	=	100.0	%	PMID[1812211]
NPT612	Individual protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	Activity	=	82.0	%	PMID[18457386]
NPT7	Individual protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency	n.a.	79432.8	nM	PubChem BioAssay data set
NPT957	Individual protein	Multidrug resistance-associated protein 7	Homo sapiens	Activity	=	18.4	%	PMID[12527806]
NPT612	Individual protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	Ki	=	802000.0	nM	PMID[12134946]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Ki	=	42000.0	nM	PMID[22541068]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	IC50	=	44000.0	nM	PMID[22541068]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	3.9	%	PMID[22541068]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	28.1	%	PMID[25618019]
NPT542	Individual protein	Progesterone receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT518	Protein complex	Tubulin	Homo sapiens	IC50	=	500.0	nM	PMID[2066973]
NPT518	Protein complex	Tubulin	Homo sapiens	Inhibition	=	87.0	%	PMID[17482458]
NPT459	Individual protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	>	200.0	ug.mL-1	PMID[1710653]
NPT445	Individual protein	Peripheral myelin protein 22	Rattus norvegicus	Potency	n.a.	281.6	nM	PubChem BioAssay data set
NPT445	Individual protein	Peripheral myelin protein 22	Rattus norvegicus	Potency	n.a.	90.7	nM	PubChem BioAssay data set
NPT622	Individual protein	Solute carrier organic anion transporter family member 2B1	Homo sapiens	Inhibition	=	13.0	%	PMID[22541068]
NPT518	Protein complex	Tubulin	Homo sapiens	Inhibition	=	77.0	%	PMID[24360827]
NPT3014	Protein family	Tubulin	Sus scrofa	Ratio IC50	=	2.0	n.a.	PMID[26580420]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	747.0	a.u.	PMID[29407956]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	722.0	a.u.	PMID[30055463]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	25.5	%	PMID[32171161]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	28.8	%	PMID[32171161]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	25.2	%	PMID[32171161]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	30.4	%	PMID[32171161]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	25.8	%	PMID[32171161]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	29.1	%	PMID[32171161]
NPT92	Individual protein	Serotonin 1a (5-HT1a) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT5104	Individual protein	Phosphodiesterase 3A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30108	Protein complex group	Tubulin	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[35339837]
NPT74	Individual protein	Proto-oncogene c-JUN	Homo sapiens	Potency	n.a.	848.5	nM	PubChem BioAssay data set
NPT1881	Nucleic acid	Calf thymus DNA	Bos taurus	Activity	>	70.0	%	PMID[1812211]
NPT5	Individual protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency	n.a.	17782.8	nM	PubChem BioAssay data set
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ratio_Papp	=	6.31	n.a.	PMID[11602674]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ratio_ATPase activity	=	1.46	n.a.	PMID[11602674]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	% maximum response	=	8.4	%	PMID[11602674]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ki1	=	0.47	uM	PMID[9862789]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ki2	=	148.0	uM	PMID[9862789]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	Ki	=	213000.0	nM	PMID[12134945]
NPT668	Individual protein	P-glycoprotein 1	Homo sapiens	FC	=	62.8	n.a.	PMID[33725657]
NPT670	Individual protein	Thrombin	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	IC50	=	2930.0	ug.mL-1	PMID[9207950]
NPT90	Cell line	DU-145	Homo sapiens	IC50	=	1.12	nM	PMID[11728191]
NPT397	Cell line	NCI-H460	Homo sapiens	IC50	=	0.13	nM	PMID[11728191]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	0.01	nM	PMID[11728191]
NPT2829	Cell line	MES-SA/DxS	Homo sapiens	IC50	=	0.02	nM	PMID[11728191]
NPT168	Cell line	P388	Mus musculus	EC50	=	20.0	nM	DOI[10.1016/S0960-894X(00)80225-5]
NPT168	Cell line	P388	Mus musculus	IC50	=	4.7	nM	DOI[10.1016/S0960-894X(00)80225-5]
NPT168	Cell line	P388	Mus musculus	IC50	=	190.0	nM	DOI[10.1016/S0960-894X(00)80225-5]
NPT168	Cell line	P388	Mus musculus	ILS	~	10.0	%	DOI[10.1016/S0960-894X(00)80225-5]
NPT168	Cell line	P388	Mus musculus	ILS	~	147.0	%	DOI[10.1016/S0960-894X(00)80225-5]
NPT168	Cell line	P388	Mus musculus	ILS	~	5.0	%	DOI[10.1016/S0960-894X(00)80225-5]
NPT168	Cell line	P388	Mus musculus	ILS	~	130.0	%	DOI[10.1016/S0960-894X(00)80225-5]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1.0	nM	PMID[12502374]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	17.0	nM	PMID[12502374]
NPT137	Cell line	L1210	Mus musculus	IC50	=	3.4	nM	PMID[1479582]
NPT168	Cell line	P388	Mus musculus	ILS	=	85.0	%	PMID[1433180]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.014	ug.mL-1	PMID[9873417]
NPT91	Cell line	KB	Homo sapiens	IC50	=	1.05	ug.mL-1	PMID[9873417]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Log CR	=	2.76	n.a.	PMID[2362268]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	1.14	nM	PMID[9873473]
NPT681	Cell line	PC-12	Rattus norvegicus	GI50	=	104.0	nM	PMID[9873473]
NPT91	Cell line	KB	Homo sapiens	IC50	=	1.0	nM	PMID[10411476]
NPT91	Cell line	KB	Homo sapiens	IC50	=	350.0	nM	PMID[10411476]
NPT91	Cell line	KB	Homo sapiens	IC50	=	50.0	nM	PMID[14761187]
NPT91	Cell line	KB	Homo sapiens	IC50	=	35.0	nM	PMID[10411476]
NPT91	Cell line	KB	Homo sapiens	IC50	=	5.0	nM	PMID[10411476]
NPT137	Cell line	L1210	Mus musculus	MI0.5	=	11.0	nM	PMID[2795608]
NPT168	Cell line	P388	Mus musculus	ILS	=	122.0	%	PMID[2795608]
NPT81	Cell line	A549	Homo sapiens	Combination_index	=	0.301	n.a.	PMID[15012986]
NPT81	Cell line	A549	Homo sapiens	Combination_index	=	0.462	n.a.	PMID[15012986]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	0.014	ug.mL-1	PMID[10612603]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	0.051	ug.mL-1	PMID[10612603]
NPT91	Cell line	KB	Homo sapiens	IC50	=	4.0	nM	PMID[14761187]
NPT91	Cell line	KB	Homo sapiens	IC50	=	1000.0	nM	PMID[14761187]
NPT91	Cell line	KB	Homo sapiens	IC50	=	200.0	nM	PMID[14761187]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	0.025	ug.mL-1	PMID[2769688]
NPT137	Cell line	L1210	Mus musculus	Mitotic index	=	0.62	uM	PMID[7131483]
NPT168	Cell line	P388	Mus musculus	IC50	=	2.0	nM	PMID[11140731]
NPT81	Cell line	A549	Homo sapiens	IC50	=	18.0	nM	PMID[11140731]
NPT137	Cell line	L1210	Mus musculus	IC50	=	4.85	nM	PMID[2066973]
NPT168	Cell line	P388	Mus musculus	T/C	=	165.0	%	PMID[2066973]
NPT168	Cell line	P388	Mus musculus	LTS	=	0.0	n.a.	PMID[2066973]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	2.06	nM	PMID[9554885]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	0.84	nM	PMID[9554885]
NPT137	Cell line	L1210	Mus musculus	IC50	=	0.73	nM	PMID[9554885]
NPT1178	Cell line	KB 3-1	Homo sapiens	IC50	=	1230.48	nM	PMID[15324905]
NPT393	Cell line	HCT-116	Homo sapiens	GI50	=	1.0	nM	PMID[15546733]
NPT81	Cell line	A549	Homo sapiens	GI50	=	20.0	nM	PMID[15546733]
NPT397	Cell line	NCI-H460	Homo sapiens	GI50	=	3.0	nM	PMID[15546733]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	5.0	nM	PMID[17915851]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	200.0	nM	PMID[17915851]
NPT3158	Cell line	NCI-H295R	Homo sapiens	IC50	=	90.0	nM	PMID[16539377]
NPT377	Cell line	OVCAR-3	Homo sapiens	IC50	=	20.0	nM	PMID[17915851]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	20.0	nM	PMID[17915851]
NPT5188	Cell line	ARO	Homo sapiens	IC50	=	0.1	nM	PMID[16539377]
NPT81	Cell line	A549	Homo sapiens	IC50	=	30.0	nM	PMID[17915851]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	10.0	nM	PMID[17915851]
NPT5189	Cell line	PT-45	Homo sapiens	IC50	=	4.0	nM	PMID[17915851]
NPT3722	Cell line	4T1	Mus musculus	IC50	=	20.0	nM	PMID[16539377]
NPT5190	Cell line	BNL	Mus musculus	IC50	=	80.0	nM	PMID[16539377]
NPT1527	Cell line	WRL68	Homo sapiens	IC50	=	1.42	ug.mL-1	PMID[16480866]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	0.15	ug.mL-1	PMID[16480866]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	0.05	ug.mL-1	PMID[16480866]
NPT1527	Cell line	WRL68	Homo sapiens	IC50	=	8.5	ug.mL-1	PMID[16480866]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.02	ug.mL-1	PMID[16480866]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.25	ug.mL-1	PMID[16480866]
NPT2400	Cell line	PA-1	Homo sapiens	IC50	=	0.01	ug.mL-1	PMID[16480866]
NPT3852	Cell line	COLO 320DM	Homo sapiens	IC50	=	0.46	ug.mL-1	PMID[16480866]
NPT2400	Cell line	PA-1	Homo sapiens	IC50	=	1.0	ug.mL-1	PMID[16480866]
NPT3852	Cell line	COLO 320DM	Homo sapiens	IC50	=	1.5	ug.mL-1	PMID[16480866]
NPT400	Cell line	MDA-MB-435	Homo sapiens	IC50	=	26.0	nM	PMID[17154505]
NPT168	Cell line	P388	Mus musculus	Ratio IC50	=	66.0	n.a.	PMID[17154505]
NPT400	Cell line	MDA-MB-435	Homo sapiens	IC50	=	0.63	nM	PMID[17154505]
NPT400	Cell line	MDA-MB-435	Homo sapiens	Ratio IC50	=	41.0	n.a.	PMID[17154505]
NPT552	Cell line	P388/ADR	Mus musculus	IC50	=	4.5	nM	PMID[17154505]
NPT400	Cell line	MDA-MB-435	Homo sapiens	IC50	=	0.29	nM	PMID[17154505]
NPT552	Cell line	P388/ADR	Mus musculus	IC50	=	299.0	nM	PMID[17154505]
NPT168	Cell line	P388	Mus musculus	IC50	=	2.2	nM	PMID[17154505]
NPT407	Cell line	COLO 205	Homo sapiens	IC50	=	2.6	nM	PMID[19041247]
NPT91	Cell line	KB	Homo sapiens	IC50	=	2.2	nM	PMID[19041247]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	4.5	nM	PMID[17889547]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	0.6	nM	PMID[21680190]
NPT81	Cell line	A549	Homo sapiens	IC50	=	40.0	nM	PMID[17585747]
NPT91	Cell line	KB	Homo sapiens	IC50	=	6.0	nM	PMID[17585747]
NPT90	Cell line	DU-145	Homo sapiens	IC50	=	8.5	nM	PMID[17585747]
NPT133	Cell line	ZR-75-1	Homo sapiens	IC50	=	40.0	nM	PMID[17585747]
NPT81	Cell line	A549	Homo sapiens	IC50	=	360.0	nM	PMID[17604394]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	<	120.0	nM	PMID[17604394]
NPT196	Cell line	AGS	Homo sapiens	IC50	<	120.0	nM	PMID[17604394]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	210.0	nM	PMID[17604394]
NPT111	Cell line	K562	Homo sapiens	IC50	=	6.0	nM	PMID[17889544]
NPT81	Cell line	A549	Homo sapiens	Activity	=	46.8	%	PMID[17915851]
NPT81	Cell line	A549	Homo sapiens	Activity	=	0.5	%	PMID[17915851]
NPT5188	Cell line	ARO	Homo sapiens	IC50	=	0.3	nM	PMID[17915851]
NPT2336	Cell line	OE19	Homo sapiens	IC50	=	50.0	nM	PMID[17915851]
NPT2337	Cell line	OE33	Homo sapiens	IC50	=	30.0	nM	PMID[17915851]
NPT81	Cell line	A549	Homo sapiens	Activity	=	7.9	%	PMID[17915851]
NPT81	Cell line	A549	Homo sapiens	Activity	=	45.2	%	PMID[17915851]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	0.9	nM	PMID[17239597]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	3.1	nM	PMID[17490878]
NPT91	Cell line	KB	Homo sapiens	IC50	=	16.7	nM	PMID[17608533]
NPT91	Cell line	KB	Homo sapiens	IC50	=	2.8	nM	PMID[17939738]
NPT396	Cell line	T47D	Homo sapiens	EC50	=	43.0	nM	PMID[18197614]
NPT393	Cell line	HCT-116	Homo sapiens	EC50	=	58.0	nM	PMID[18197614]
NPT4783	Cell line	SNU-398	Homo sapiens	EC50	=	12.0	nM	PMID[18197614]
NPT91	Cell line	KB	Homo sapiens	IC50	=	7.9	nM	PMID[18295490]
NPT111	Cell line	K562	Homo sapiens	Activity	=	72.0	%	PMID[18293907]
NPT2846	Cell line	BHK-21	Cricetulus griseus	IC50	=	1.51	nM	PMID[17646169]
NPT2846	Cell line	BHK-21	Cricetulus griseus	IC50	=	9.42	nM	PMID[17646169]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	0.5	%	PMID[17573162]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	46.8	%	PMID[17573162]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	7.9	%	PMID[17573162]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	45.2	%	PMID[17573162]
NPT15	Cell line	Jurkat	Homo sapiens	IC50	=	0.0031	ug.mL-1	PMID[19026536]
NPT168	Cell line	P388	Mus musculus	T/C	=	110.0	%	PMID[14987066]
NPT168	Cell line	P388	Mus musculus	T/C	=	92.0	%	PMID[14987066]
NPT168	Cell line	P388	Mus musculus	T/C	=	242.0	%	PMID[7161602]
NPT91	Cell line	KB	Homo sapiens	ED50	=	0.015	ug ml-1	PMID[18473435]
NPT81	Cell line	A549	Homo sapiens	ED50	=	0.004	ug ml-1	PMID[18473435]
NPT83	Cell line	MCF7	Homo sapiens	ED50	=	0.01	ug ml-1	PMID[18473435]
NPT180	Cell line	HCT-8	Homo sapiens	ED50	=	0.02	ug ml-1	PMID[18473435]
NPT306	Cell line	PC-3	Homo sapiens	ED50	=	0.01	ug ml-1	PMID[18473435]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	6.0	nM	PMID[22119129]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	2.0	nM	PMID[22119129]
NPT2433	Cell line	SNU-423	Homo sapiens	IC50	=	10.0	nM	PMID[19117761]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	15.0	nM	PMID[19117761]
NPT783	Cell line	MIA PaCa-2	Homo sapiens	IC50	=	15.0	nM	PMID[19117761]
NPT547	Cell line	BGC-823	Homo sapiens	IC50	=	0.066	ug.mL-1	PMID[15387638]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	20.74	ug.mL-1	PMID[14695795]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	7.0	nM	PMID[2778449]
NPT139	Cell line	HT-29	Homo sapiens	IZ	=	30.0	mm	PMID[2778449]
NPT139	Cell line	HT-29	Homo sapiens	IZ	=	15.0	mm	PMID[2778449]
NPT168	Cell line	P388	Mus musculus	IC50	=	1.2	nM	PMID[2778449]
NPT168	Cell line	P388	Mus musculus	IZ	>	40.0	mm	PMID[2778449]
NPT168	Cell line	P388	Mus musculus	IZ	=	32.5	mm	PMID[2778449]
NPT168	Cell line	P388	Mus musculus	IZ	=	12.5	mm	PMID[2778449]
NPT91	Cell line	KB	Homo sapiens	ED50	=	1.3	ug ml-1	PMID[7130986]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	0.06	ug.mL-1	PMID[9392881]
NPT181	Cell line	Bel-7402	Homo sapiens	IC50	=	40.0	nM	PMID[19111465]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	52210.0	nM	PMID[19111465]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.4	nM	PMID[25059503]
NPT91	Cell line	KB	Homo sapiens	IC50	=	90.1	nM	PMID[19053773]
NPT91	Cell line	KB	Homo sapiens	IC50	=	17.6	nM	PMID[19053773]
NPT91	Cell line	KB	Homo sapiens	IC50	=	1.2	nM	PMID[19053773]
NPT83	Cell line	MCF7	Homo sapiens	GI50	=	1.5	nM	PMID[19147348]
NPT165	Cell line	HeLa	Homo sapiens	GI50	=	1.7	nM	PMID[19147348]
NPT2452	Cell line	NCI-H292	n.a.	IC50	=	0.04	ug.mL-1	PMID[19027993]
NPT1171	Cell line	HEp-2	Homo sapiens	IC50	=	0.003	ug.mL-1	PMID[19027993]
NPT404	Cell line	CCRF-CEM	Homo sapiens	EC50	=	597.2	nM	PMID[19743858]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	5300.0	nM	PMID[19679470]
NPT81	Cell line	A549	Homo sapiens	IC50	=	2500.0	nM	PMID[19679470]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	3700.0	nM	PMID[19679470]
NPT1179	Cell line	MKN-28	Homo sapiens	IC50	=	7100.0	nM	PMID[19679470]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	0.87	nM	PMID[19711971]
NPT91	Cell line	KB	Homo sapiens	IC50	=	10.0	nM	PMID[20353152]
NPT91	Cell line	KB	Homo sapiens	IC50	=	6.07	nM	PMID[20724170]
NPT189	Cell line	Vero	Chlorocebus aethiops	IC50	=	1.1	ug.mL-1	PMID[20619938]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	0.05	ug.mL-1	PMID[20619938]
NPT189	Cell line	Vero	Chlorocebus aethiops	Selectivity Index	=	2.2	n.a.	PMID[20619938]
NPT83	Cell line	MCF7	Homo sapiens	ED50	=	12.1	nM	PMID[21296579]
NPT180	Cell line	HCT-8	Homo sapiens	ED50	=	24.2	nM	PMID[21296579]
NPT81	Cell line	A549	Homo sapiens	ED50	=	4.8	nM	PMID[21296579]
NPT306	Cell line	PC-3	Homo sapiens	ED50	=	12.1	nM	PMID[21296579]
NPT65	Cell line	HepG2	Homo sapiens	ED50	=	2.9	nM	PMID[21296579]
NPT91	Cell line	KB	Homo sapiens	ED50	=	2.4	nM	PMID[21296579]
NPT180	Cell line	HCT-8	Homo sapiens	GI50	=	36.0	nM	PMID[21284385]
NPT306	Cell line	PC-3	Homo sapiens	GI50	=	18.0	nM	PMID[21284385]
NPT81	Cell line	A549	Homo sapiens	GI50	=	7.0	nM	PMID[21284385]
NPT90	Cell line	DU-145	Homo sapiens	GI50	=	18.0	nM	PMID[21284385]
NPT83	Cell line	MCF7	Homo sapiens	GI50	=	18.0	nM	PMID[21284385]
NPT91	Cell line	KB	Homo sapiens	GI50	=	4.0	nM	PMID[21284385]
NPT857	Cell line	LLC-PK1	Sus scrofa	GI50	=	30.0	nM	PMID[21344920]
NPT857	Cell line	LLC-PK1	Sus scrofa	RatioGI50	=	70.0	n.a.	PMID[21344920]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	23.0	%	PMID[21664138]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	35.9	%	PMID[21664138]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	28.6	%	PMID[21664138]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	12.5	%	PMID[21664138]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	25.3	%	PMID[21664138]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	31.6	%	PMID[21664138]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	4.0	%	PMID[21664138]
NPT91	Cell line	KB	Homo sapiens	IC50	>	25.0	ug.mL-1	PMID[21428274]
NPT83	Cell line	MCF7	Homo sapiens	Ratio IC50	=	15.5	n.a.	PMID[21680190]
NPT83	Cell line	MCF7	Homo sapiens	Ratio IC50	=	167.0	n.a.	PMID[21680190]
NPT116	Cell line	HL-60	Homo sapiens	Ratio IC50	>	1000.0	n.a.	PMID[21780800]
NPT111	Cell line	K562	Homo sapiens	Ratio IC50	=	1000.0	n.a.	PMID[22582991]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Ratio IC50	=	1000.0	n.a.	PMID[22582991]
NPT91	Cell line	KB	Homo sapiens	IC50	=	20.0	nM	PMID[21761866]
NPT91	Cell line	KB	Homo sapiens	IC50	=	1290.0	nM	PMID[21761866]
NPT91	Cell line	KB	Homo sapiens	Ratio IC50	=	55.97	n.a.	PMID[21761866]
NPT401	Cell line	786-0	Homo sapiens	IC50	=	37.0	nM	PMID[21774499]
NPT401	Cell line	786-0	Homo sapiens	IC50	=	1.2	nM	PMID[21774499]
NPT91	Cell line	KB	Homo sapiens	IC50	=	3.0	nM	PMID[22119124]
NPT91	Cell line	KB	Homo sapiens	IC50	=	1610.0	nM	PMID[22119124]
NPT91	Cell line	KB	Homo sapiens	Ratio IC50	=	536.7	n.a.	PMID[22119124]
NPT91	Cell line	KB	Homo sapiens	GI50	=	2.0	nM	PMID[22465634]
NPT91	Cell line	KB	Homo sapiens	RatioGI50	=	1320.0	n.a.	PMID[22465634]
NPT4783	Cell line	SNU-398	Homo sapiens	IC50	=	46.7	nM	PMID[22320354]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	6.5	nM	PMID[22320354]
NPT181	Cell line	Bel-7402	Homo sapiens	IC50	=	4.2	nM	PMID[22320354]
NPT65	Cell line	HepG2	Homo sapiens	IC50	>	100.0	nM	PMID[22320354]
NPT1229	Cell line	Huh-7	Homo sapiens	IC50	=	20.0	nM	PMID[22320354]
NPT890	Cell line	SNU-387	Homo sapiens	IC50	=	40.9	nM	PMID[22320354]
NPT4783	Cell line	SNU-398	Homo sapiens	IC50	<	0.13	nM	PMID[22320354]
NPT2433	Cell line	SNU-423	Homo sapiens	IC50	=	18.4	nM	PMID[22320354]
NPT2443	Cell line	SNU-449	Homo sapiens	IC50	>	100.0	nM	PMID[22320354]
NPT4613	Cell line	SNU-475	Homo sapiens	IC50	=	29.3	nM	PMID[22320354]
NPT4783	Cell line	SNU-398	Homo sapiens	Activity	=	17.1	%	PMID[22320354]
NPT4783	Cell line	SNU-398	Homo sapiens	Activity	=	64.5	%	PMID[22320354]
NPT4783	Cell line	SNU-398	Homo sapiens	Activity	=	14.7	%	PMID[22320354]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	60.0	nM	PMID[22582991]
NPT111	Cell line	K562	Homo sapiens	IC50	=	0.1	nM	PMID[22582991]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	0.17	nM	PMID[22582991]
NPT116	Cell line	HL-60	Homo sapiens	Ratio IC50	=	1.0	n.a.	PMID[22582991]
NPT111	Cell line	K562	Homo sapiens	Ratio IC50	>	1000.0	n.a.	PMID[22582991]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Ratio IC50	=	1.0	n.a.	PMID[22582991]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Ratio IC50	>	1000.0	n.a.	PMID[22582991]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	7.0	nM	PMID[22247789]
NPT137	Cell line	L1210	Mus musculus	IC50	=	6.0	nM	PMID[22247789]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	72.53	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	49.2	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	4.65	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	17.13	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	16.43	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	14.29	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	5.97	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	20.5	%	PMID[23202849]
NPT91	Cell line	KB	Homo sapiens	IC50	=	2.11	nM	PMID[23360284]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	4.3	nM	PMID[23855338]
NPT1357	Cell line	H22	Mus musculus	TGI	=	61.0	%	PMID[23981529]
NPT1357	Cell line	H22	Mus musculus	TGI	=	31.0	%	PMID[23981529]
NPT3881	Cell line	MX1	Homo sapiens	IC50	=	75.0	nM	PMID[23981529]
NPT3881	Cell line	MX1	Homo sapiens	IC50	=	12.0	nM	PMID[23981529]
NPT91	Cell line	KB	Homo sapiens	IC50	>	100000.0	nM	PMID[23981529]
NPT91	Cell line	KB	Homo sapiens	IC50	=	139.0	nM	PMID[23981529]
NPT1081	Cell line	BXPC-3	Homo sapiens	IC50	>	500.0	nM	PMID[23981529]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	210.0	nM	PMID[23981529]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	12.0	nM	PMID[23981529]
NPT81	Cell line	A549	Homo sapiens	IC50	=	53.0	nM	PMID[23981529]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	13.0	nM	PMID[23981529]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.6	nM	PMID[24106982]
NPT1668	Cell line	NCI-H157	Homo sapiens	Activity	=	47.0	%	PMID[24215819]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	15.0	nM	PMID[26927488]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	1.6	nM	PMID[24437936]
NPT1668	Cell line	NCI-H157	Homo sapiens	GI	=	74.5	%	PMID[24681981]
NPT1668	Cell line	NCI-H157	Homo sapiens	GI	=	72.6	%	PMID[24681981]
NPT1668	Cell line	NCI-H157	Homo sapiens	GI	=	70.9	%	PMID[24681981]
NPT1668	Cell line	NCI-H157	Homo sapiens	GI	=	69.8	%	PMID[24681981]
NPT1668	Cell line	NCI-H157	Homo sapiens	Activity	=	46.0	%	PMID[24675179]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.9	nM	PMID[26160020]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	2.32	nM	PMID[24583355]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	2128.0	nM	PMID[24583355]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Ratio IC50	=	0.46	n.a.	PMID[24583355]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.007	ug.mL-1	PMID[25333996]
NPT1668	Cell line	NCI-H157	Homo sapiens	IC50	=	1030.0	nM	DOI[10.1039/C5MD00529A]
NPT189	Cell line	Vero	Chlorocebus aethiops	Activity	=	16.81	%	PMID[25257911]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	930.0	nM	PMID[25061803]
NPT81	Cell line	A549	Homo sapiens	IC50	=	56.0	nM	PMID[25061803]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	4300.0	nM	PMID[25061803]
NPT81	Cell line	A549	Homo sapiens	Ratio IC50	=	4.7	n.a.	PMID[25061803]
NPT83	Cell line	MCF7	Homo sapiens	Ratio IC50	=	1063.0	n.a.	PMID[25061803]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	20.0	nM	PMID[26270803]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	70.0	nM	PMID[26270803]
NPT400	Cell line	MDA-MB-435	Homo sapiens	IC50	=	20.0	nM	PMID[26270803]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	40.0	nM	PMID[26270803]
NPT306	Cell line	PC-3	Homo sapiens	IC50	=	70.0	nM	PMID[26270803]
NPT81	Cell line	A549	Homo sapiens	IC50	=	36.83	nM	PMID[26318055]
NPT91	Cell line	KB	Homo sapiens	IC50	=	3.3	nM	PMID[26717050]
NPT189	Cell line	Vero	Chlorocebus aethiops	Inhibition	=	16.8	%	DOI[10.1039/C5MD00529A]
NPT81	Cell line	A549	Homo sapiens	IC50	=	61.0	nM	PMID[27149641]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	98.0	nM	PMID[27149641]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	26.0	nM	PMID[27149641]
NPT179	Cell line	A2780	Homo sapiens	Ratio IC50	=	6.46	n.a.	PMID[27149641]
NPT180	Cell line	HCT-8	Homo sapiens	Ratio IC50	=	22.5	n.a.	PMID[27149641]
NPT81	Cell line	A549	Homo sapiens	Ratio IC50	=	9.2	n.a.	PMID[27149641]
NPT83	Cell line	MCF7	Homo sapiens	Ratio IC50	=	12.9	n.a.	PMID[27149641]
NPT1668	Cell line	NCI-H157	Homo sapiens	GI	=	74.6	%	PMID[27480030]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	23.45	%	PMID[27187865]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	17.7	%	PMID[27187865]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	2.75	%	PMID[27187865]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	56.1	%	PMID[27187865]
NPT83	Cell line	MCF7	Homo sapiens	Ratio IC50	=	3.0	n.a.	PMID[27187865]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	2.13	nM	PMID[28064078]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.72	nM	PMID[29294282]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.2	nM	PMID[28333459]
NPT111	Cell line	K562	Homo sapiens	IC50	=	178.0	nM	PMID[29678463]
NPT1668	Cell line	NCI-H157	Homo sapiens	Activity	=	74.5	%	PMID[29133050]
NPT1668	Cell line	NCI-H157	Homo sapiens	Activity	=	72.6	%	PMID[29133050]
NPT1668	Cell line	NCI-H157	Homo sapiens	Activity	=	70.9	%	PMID[29133050]
NPT1668	Cell line	NCI-H157	Homo sapiens	Activity	=	69.8	%	PMID[29133050]
NPT2846	Cell line	BHK-21	Cricetulus griseus	Activity	=	74.5	%	PMID[29133050]
NPT2846	Cell line	BHK-21	Cricetulus griseus	Activity	=	72.6	%	PMID[29133050]
NPT2846	Cell line	BHK-21	Cricetulus griseus	Activity	=	70.9	%	PMID[29133050]
NPT2846	Cell line	BHK-21	Cricetulus griseus	Activity	=	69.8	%	PMID[29133050]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	0.042	ug.mL-1	PMID[29133050]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	1800.0	nM	PMID[29133061]
NPT306	Cell line	PC-3	Homo sapiens	IC50	>	25000.0	nM	PMID[29133061]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.65	nM	PMID[29795767]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	3.0	nM	PMID[29886320]
NPT659	Cell line	SMMC-7721	Homo sapiens	GI	=	12.34	%	PMID[29886320]
NPT659	Cell line	SMMC-7721	Homo sapiens	GI	=	17.74	%	PMID[29886320]
NPT659	Cell line	SMMC-7721	Homo sapiens	GI	=	23.94	%	PMID[29886320]
NPT659	Cell line	SMMC-7721	Homo sapiens	GI	=	45.74	%	PMID[29886320]
NPT659	Cell line	SMMC-7721	Homo sapiens	GI	=	68.51	%	PMID[29886320]
NPT112	Cell line	MOLT-4	Homo sapiens	IC50	=	0.00063	ug.mL-1	PMID[29274817]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	283.0	%	PMID[30156410]
NPT461	Cell line	PANC-1	Homo sapiens	Activity	=	265.0	%	PMID[30156410]
NPT461	Cell line	PANC-1	Homo sapiens	Activity	=	21.2	%	PMID[30156410]
NPT461	Cell line	PANC-1	Homo sapiens	Activity	=	9.7	%	PMID[30156410]
NPT461	Cell line	PANC-1	Homo sapiens	Activity	=	64.1	%	PMID[30156410]
NPT306	Cell line	PC-3	Homo sapiens	IC50	=	5310.0	nM	PMID[30109000]
NPT111	Cell line	K562	Homo sapiens	IC50	=	5360.0	nM	PMID[30109000]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	9860.0	nM	PMID[30109000]
NPT2192	Cell line	HEL	Homo sapiens	IC50	=	5970.0	nM	PMID[30109000]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.46	ug.mL-1	PMID[28760313]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	74.5	%	PMID[31112894]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.21	nM	PMID[30455148]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	10.3	nM	PMID[30852384]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	3.0	nM	PMID[31419740]
NPT2846	Cell line	BHK-21	Cricetulus griseus	IC50	=	1080.0	nM	PMID[31404864]
NPT111	Cell line	K562	Homo sapiens	IC50	=	21.0	nM	PMID[30530194]
NPT319	Cell line	B16	Mus musculus	IC50	=	500.0	nM	PMID[26934105]
NPT941	Cell line	HaCaT	Homo sapiens	IC50	=	650.0	nM	PMID[26934105]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	0.008	ug.mL-1	PMID[32527555]
NPT179	Cell line	A2780	Homo sapiens	EC50	=	3.4	nM	PMID[31047749]
NPT179	Cell line	A2780	Homo sapiens	EC50	=	3.9	nM	PMID[31047749]
NPT885	Cell line	PBL	n.a.	GI50	=	1200.0	nM	PMID[32986419]
NPT885	Cell line	PBL	n.a.	GI50	=	7500.0	nM	PMID[32986419]
NPT91	Cell line	KB	Homo sapiens	GI50	=	1.86	nM	PMID[32171161]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	890.0	nM	PMID[33477020]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1740.0	nM	PMID[33477020]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	920.0	nM	PMID[33477020]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	270.0	nM	PMID[33636536]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.8	nM	PMID[33872002]
NPT91	Cell line	KB	Homo sapiens	IC50	=	800.0	nM	PMID[33872002]
NPT393	Cell line	HCT-116	Homo sapiens	GI50	=	6.0	nM	PMID[37849542]
NPT858	Cell line	LNCaP	Homo sapiens	IC50	=	2600.0	nM	PMID[32531682]
NPT2299	Cell line	CAL-51	Homo sapiens	GI50	=	89.0	nM	PMID[37849542]
NPT111	Cell line	K562	Homo sapiens	IC50	=	178.0	nM	PMID[32992133]
NPT180	Cell line	HCT-8	Homo sapiens	IC50	=	173.0	nM	PMID[37856840]
NPT180	Cell line	HCT-8	Homo sapiens	IC50	=	350.0	nM	PMID[35282680]
NPT180	Cell line	HCT-8	Homo sapiens	IC50	=	7860.0	nM	PMID[35282680]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	30.0	nM	PMID[35282680]
NPT81	Cell line	A549	Homo sapiens	IC50	=	560.0	nM	PMID[35282680]
NPT81	Cell line	A549	Homo sapiens	Ratio IC50	=	9.33	n.a.	PMID[35282680]
NPT180	Cell line	HCT-8	Homo sapiens	IC50	=	217.0	nM	PMID[34649064]
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	IC50	=	10050.0	nM	PMID[33725657]
NPT81	Cell line	A549	Homo sapiens	IC50	=	60.0	nM	PMID[35282680]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	170.0	nM	PMID[35282680]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	93670.0	nM	PMID[37084600]
NPT2615	Cell line	HEK-293T	Homo sapiens	IC50	=	94950.0	nM	PMID[37084600]
NPT111	Cell line	K562	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[34794817]
NPT91	Cell line	KB	Homo sapiens	IC50	=	6.7	nM	PMID[34794817]
NPT137	Cell line	L1210	Mus musculus	ID50	<	0.001	uM	PMID[7131483]
NPT165	Cell line	HeLa	Homo sapiens	CC50	=	0.05	ug.mL-1	PMID[19217699]
NPT1171	Cell line	HEp-2	Homo sapiens	CC50	=	0.05	ug.mL-1	PMID[11858754]
NPT1161	Cell line	CHO	Cricetulus griseus	CC50	=	1.15	ug.mL-1	PMID[11858754]
NPT189	Cell line	Vero	Chlorocebus aethiops	CC50	=	1.1	ug.mL-1	PMID[19217699]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	1.0	nM	PMID[20547797]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	9528.3	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	84.9	nM	PubChem BioAssay data set
NPT22764	Cell line	KB/VJ300	Homo sapiens	IC50	=	5900.0	nM	PMID[27759387]
NPT23408	Cell line	K562/VCR	Homo sapiens	IC50	=	4737.0	nM	PMID[29678463]
NPT22764	Cell line	KB/VJ300	Homo sapiens	IC50	=	3900.0	nM	PMID[29746134]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Hit score	=	0.4904	n.a.	DOI[10.1101/2020.04.21.054387]
NPT23408	Cell line	K562/VCR	Homo sapiens	IC50	=	5060.0	nM	PMID[30530194]
NPT22764	Cell line	KB/VJ300	Homo sapiens	IC50	=	800.0	nM	PMID[31642315]
NPT22764	Cell line	KB/VJ300	Homo sapiens	IC50	=	6600.0	nM	PMID[26918761]
NPT22764	Cell line	KB/VJ300	Homo sapiens	IC50	=	2600.0	nM	PMID[30869890]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	2916.0	nM	PMID[37856840]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	435.85	nM	PMID[33360797]
NPT28438	Unchecked	Unchecked	n.a.	IC50	<	40000.0	nM	PMID[35751979]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	1.63	nM	PMID[36167009]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	1.5	nM	PMID[36167009]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	40.79	n.a.	PMID[36167009]
NPT23408	Cell line	K562/VCR	Homo sapiens	IC50	=	4730.0	nM	PMID[32992133]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	1.18	nM	PMID[36167009]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	473.91	n.a.	PMID[36167009]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	22.46	n.a.	PMID[35282680]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	5.67	n.a.	PMID[35282680]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	13.71	nM	PMID[36167009]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	559.21	nM	PMID[36167009]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	10200.0	nM	PMID[34649064]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	47.0	n.a.	PMID[34649064]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	16.9	n.a.	PMID[37856840]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	50300.0	nM	PMID[32992133]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	50300.0	nM	PMID[32531682]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	n.a.	n.a.	n.a.	PMID[34794817]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	372.81	n.a.	PMID[36167009]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	301.0	n.a.	PMID[34794817]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	343.07	n.a.	PMID[36167009]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	2013.0	nM	PMID[34794817]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	1282.2	n.a.	PMID[34794817]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.025	ug.mL-1	PMID[2918516]
NPT610	Others	Molecular identity unknown	n.a.	EC50	=	2.4	nM	PMID[17973361]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	58.0	nM	PMID[19041247]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2035.0	nM	PMID[19041247]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	27.7	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	24.0	%	PMID[17181164]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	28.3	%	PMID[17181164]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	26.0	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	13.1	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	7.2	%	PMID[17181164]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	4.8	%	PMID[17181164]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	5.9	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	11.1	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	11.7	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	17.2	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	65.8	%	PMID[17973361]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	86.7	%	PMID[17973361]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	92.6	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	95.1	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	93.8	%	PMID[17181164]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	61.2	%	PMID[17181164]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	64.5	%	PMID[17181164]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	53.7	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	6.5	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	0.5	%	PMID[19220018]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	1.0	%	PMID[17973361]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	0.2	%	PMID[17973361]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	100.0	nM	PMID[17567121]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	9.3	nM	PMID[21680190]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	5300.0	nM	PMID[17585747]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	100.0	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	90.0	nM	PMID[17915851]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	895.0	nM	PMID[17239597]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	311.0	nM	PMID[17490878]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1335.0	nM	PMID[17608533]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1200.0	nM	PMID[17939738]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.0007	ug.mL-1	PMID[18044843]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	5720.0	nM	PMID[18295490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	5.4	nM	PMID[25333996]
NPT141	Organism	Agrobacterium tumefaciens	Agrobacterium tumefaciens	Inhibition	=	-44.0	%	PMID[7161602]
NPT141	Organism	Agrobacterium tumefaciens	Agrobacterium tumefaciens	Inhibition	=	-36.0	%	PMID[7161602]
NPT141	Organism	Agrobacterium tumefaciens	Agrobacterium tumefaciens	Inhibition	=	-17.0	%	PMID[7161602]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	ED50	=	7.0	ug ml-1	PMID[18473435]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	20.0	nM	PMID[19117761]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	100.0	%	PMID[8277312]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	0.0	%	PMID[8277312]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1.37	ug.mL-1	PMID[14695795]
NPT141	Organism	Agrobacterium tumefaciens	Agrobacterium tumefaciens	IC50	=	0.003	ppm	PMID[18650096]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	366.6	nM	PMID[19743858]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	60.88	nM	PMID[19743858]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	840.0	nM	PMID[20353152]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1483.48	nM	PMID[20724170]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1489.58	nM	PMID[20724170]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	6860.0	nM	PMID[20735140]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	2.9	nM	PMID[20735140]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	>	1.0	nM	PMID[17417631]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	ED50	>	100.0	nM	PMID[21296579]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	9091.0	nM	PMID[21284385]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	2650.0	nM	PMID[21344920]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	106590.0	nM	PMID[21344920]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	430.0	nM	PMID[21344920]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	340.0	nM	PMID[21344920]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	21000.0	nM	PMID[21344920]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	100000.0	nM	PMID[21680190]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	90.1	nM	PMID[25059503]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1.2	nM	PMID[22060033]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	17.6	nM	PMID[22060033]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	12.7	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	21.2	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	7.2	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	28.2	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	22.1	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	35.9	nM	PMID[22320354]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	12.2	%	PMID[22320354]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	68.4	%	PMID[22320354]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	11.8	%	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	303.2	nM	PMID[23360284]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	7900.0	nM	PMID[23685944]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	300.0	nM	PMID[23685944]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	6300.0	nM	PMID[23685944]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	100.0	nM	PMID[23685944]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	19900.0	nM	PMID[23685944]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	200.0	nM	PMID[23685944]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	4000.0	nM	PMID[23685944]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	15800.0	nM	PMID[23685944]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	80.0	nM	PMID[23855338]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (acute)	=	0.0	%	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI	=	74.5	%	PMID[24681981]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI	=	72.6	%	PMID[24681981]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI	=	70.9	%	PMID[24681981]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI	=	69.8	%	PMID[24681981]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	96.4	nM	PMID[26160020]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2.1	nM	PMID[26160020]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1.5	nM	PMID[24657567]
NPT141	Organism	Agrobacterium tumefaciens	Agrobacterium tumefaciens	Activity	=	100.0	%	PMID[25036793]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	5.4	ug.mL-1	PMID[25333996]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	570.0	nM	PMID[25597010]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1900.0	nM	PMID[25061803]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.87	nM	PMID[26318055]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	387.43	nM	PMID[26318055]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	7500.0	nM	PMID[26717050]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	350.0	nM	PMID[27149641]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	168.0	nM	PMID[27149641]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	7860.0	nM	PMID[27149641]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	561.0	nM	PMID[27149641]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1261.0	nM	PMID[27149641]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	54.6	%	PMID[27187865]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	7.8	%	PMID[27187865]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	17.9	%	PMID[27187865]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	5.1	%	PMID[27187865]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	900.0	nM	PMID[27187865]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	300.0	nM	PMID[27187865]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1300.0	nM	PMID[27240278]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	4.0	%	PMID[27318123]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	13.83	%	PMID[27318123]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	82.17	%	PMID[27318123]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	800.0	nM	DOI[10.1039/C6MD00178E]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	4100.0	nM	DOI[10.1039/C6MD00178E]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	4.0	nM	PMID[27423028]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	926.0	nM	PMID[27423028]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	36.0	nM	PMID[27423028]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	871.0	nM	PMID[27423028]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	29.0	nM	PMID[27423028]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	10.0	nM	PMID[28105271]
NPT20987	Cell line	HeLa S3	Homo sapiens	IC50	<	40000.0	nM	PMID[35751979]
NPT29612	Protein family	Tubulin beta	Homo sapiens	Inhibition	n.a.	n.a.	%	PMID[34648295]
NPT29612	Protein family	Tubulin beta	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[38107178]
NPT29612	Protein family	Tubulin beta	Homo sapiens	Activity	=	1.12	n.a.	PMID[35339837]
NPT29612	Protein family	Tubulin beta	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[37856840]
NPT29612	Protein family	Tubulin beta	Homo sapiens	Activity	=	0.98	n.a.	PMID[35339837]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (moderate)	=	3.0	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (moderate)	=	7.3	%	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (granulomatous hepatitis)	=	0.0	n.a.	PMID[15646539]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (benign tumour)	=	0.0	n.a.	PMID[15646539]
NPT25005	Cell line	DLKP cell line	Homo sapiens	Combination_index	=	0.241	n.a.	PMID[15012986]
NPT25005	Cell line	DLKP cell line	Homo sapiens	Combination_index	=	0.593	n.a.	PMID[15012986]
NPT21742	Cell line	L02	Homo sapiens	IC50	=	200.0	nM	PMID[29886320]
NPT21742	Cell line	L02	Homo sapiens	GI	=	1.6	%	PMID[29886320]
NPT21742	Cell line	L02	Homo sapiens	GI	=	1.39	%	PMID[29886320]
NPT21742	Cell line	L02	Homo sapiens	GI	=	7.26	%	PMID[29886320]
NPT21742	Cell line	L02	Homo sapiens	GI	=	11.5	%	PMID[29886320]
NPT21742	Cell line	L02	Homo sapiens	GI	=	16.46	%	PMID[29886320]
NPT21742	Cell line	L02	Homo sapiens	IC50	=	60.0	nM	PMID[30852384]
NPT21742	Cell line	L02	Homo sapiens	IC50	=	300.0	nM	PMID[33636536]
NPT25039	Cell line	KB-V1	Homo sapiens	IC50	=	8571.0	nM	PMID[34794817]
NPT28808	Protein family	Tubulin	Sus scrofa	Inhibition	n.a.	n.a.	%	PMID[27010345]
NPT2	Others	Unspecified	n.a.	Potency	n.a.	95.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	3757.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	8.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	105.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	94.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	53.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	84.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	47.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	169.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	5.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	213.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	7.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	749.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	23.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	13333.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	10.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	749.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	23914.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	237.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	167.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	106.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	6.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	1059.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Ratio	=	3.7	n.a.	PMID[15012986]
NPT2	Others	Unspecified	n.a.	Ratio	=	72.28	n.a.	PMID[15012986]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	26.0	n.a.	PMID[19041247]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	925.0	n.a.	PMID[19041247]
NPT2	Others	Unspecified	n.a.	EC50	=	6200.0	nM	PMID[8988604]
NPT2	Others	Unspecified	n.a.	Ratio ED50	=	0.002	n.a.	PMID[18473435]
NPT2	Others	Unspecified	n.a.	EC50	=	2500.0	nM	PMID[21126027]
NPT24179	Cell line	MDCK-II	Canis lupus familiaris	RatioGI50	=	40.3	n.a.	PMID[21344920]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Composite Activity - Active	=	0.0	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	Composite Activity - Marginal	=	0.0	n.a.	PMID[16472241]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_bilirubinemia	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cholecystitis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cholelithiasis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_cirrhosis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatic failure	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatic necrosis	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatomegaly	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_jaundice	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver fatty	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver function tests abnormal	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_Combined Scores	=	0.0	n.a.	PMID[22194678]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	143.7	n.a.	PMID[23360284]
NPT471	Organism	Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	=	30.0	nM	PMID[23927763]
NPT2	Others	Unspecified	n.a.	Activity	=	80.0	%	PMID[24437936]
NPT2	Others	Unspecified	n.a.	Activity	=	20.0	%	PMID[24437936]
NPT2	Others	Unspecified	n.a.	Inhibition	=	50.0	%	PMID[24502232]
NPT2	Others	Unspecified	n.a.	Potency	n.a.	1000.0	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	5011.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	2818.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	120.0	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	IC50	=	4.0	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	50118.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	3981.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	IC50	=	5.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	IC50	=	5.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	153.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	IC50	n.a.	10000.0	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	IC50	=	6.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	216.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	IC50	=	6.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	IC50	=	6.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	281.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	AC50	n.a.	39810.7	nM	PubChem BioAssay data set
NPT23299	Cell line	K562/Adr	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[34794817]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_liver disease	=	0.0	n.a.	PMID[22194678]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	4.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	16.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	20.8	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	46.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	Survivors	=	0.0	n.a.	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	1.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	10.7	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	12.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	30.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	28.8	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	14.7	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	24.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	20.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	36.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	26.6	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	37.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	47.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	53.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	64.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	146.0	%	PMID[4020828]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	85.0	%	PMID[1479582]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	100.0	%	PMID[7131483]
NPT32	Organism	Mus musculus	Mus musculus	ILS	=	145.0	%	PMID[7131483]
NPT32	Organism	Mus musculus	Mus musculus	Median T/C	=	12.6	day	PMID[9873389]
NPT32	Organism	Mus musculus	Mus musculus	Range	=	10.0	day	PMID[9873389]
NPT32	Organism	Mus musculus	Mus musculus	T/C	=	110.0	%	PMID[9873389]
NPT32	Organism	Mus musculus	Mus musculus	Median T/C	=	10.6	day	PMID[9873389]
NPT32	Organism	Mus musculus	Mus musculus	T/C	=	92.0	%	PMID[9873389]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	25.5	g	PMID[23981529]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	24.6	g	PMID[23981529]
NPT605	Organism	Homo sapiens	Homo sapiens	Fabs	<	10.0	%	PMID[21051535]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Pc	=	0.00000064	cm s-1	PMID[7392035]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_elevated liver function tests	=	0.0	n.a.	PMID[22194678]
NPT20596	Phenotype	Hepatotoxicity	n.a.	HepSE_hepatitis	=	0.0	n.a.	PMID[22194678]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	51.67	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	39700.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	351.17	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	82.33	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	151.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	34500000.0	nM	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	100.0	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	803.3	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	316.5	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1491.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	105.67	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.5	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	108.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.47	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.2	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	58300.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	8.3	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASO	=	0.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	0.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	7637.67	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	67.83	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	661.17	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASOLE	=	0.0	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.0	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5380000.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	33.67	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	128800.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	8370.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	91.17	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.95	pg	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	382300.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.6	fL	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	0.83	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	8.0	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.17	/100WBC	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	865000.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	52.5	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	364.83	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	82.5	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	170.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	32330000.0	nM	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	758.3	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	419.0	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.1	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1550.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	111.5	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	11.33	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	103.2	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.8	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	59800.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	6.2	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	6333.5	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	38.83	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	661.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5440000.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	34.17	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	132200.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	7030.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	90.17	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	24.38	pg	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	387000.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.95	fL	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	0.5	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	9.33	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.0	/100WBC	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	924330.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	99.6	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.37	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.64	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	52.67	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	40300.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	301.33	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	100.0	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	136.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	35670000.0	nM	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	98.0	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	806.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	355.67	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.5	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1383.3	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	108.33	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.0	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	104.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.91	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	142.8	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	60000.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	5.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	50.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	6489.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	75.67	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	285.33	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.67	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5180000.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	30.77	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	120700.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	6900.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	94.33	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.3	pg	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	392000.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	59.47	fL	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	1.0	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	4.0	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.33	/100WBC	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1561000.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	42.0	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	38000.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	313.0	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	132.33	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	186.7	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	29670000.0	nM	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	99.67	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	650.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	254.0	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.8	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1873.3	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	136.67	U.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	108.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.21	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	143.2	mEq.L-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	54000.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	7.3	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	15.67	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	5856.67	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	77.33	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	217.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.33	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	4270000.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	27.3	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	107000.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	6170.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	94.0	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	25.1	pg	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	391700.0	ug.mL-1	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.03	fL	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	1.33	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	4.33	%	DOI[10.6019/CHEMBL3885881]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1370670.0	cells.uL-1	DOI[10.6019/CHEMBL3885881]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference
Homo sapiens	n.a.	Fu	=	0.4	n.a.	PMID[18426954]

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference
-	Rattus norvegicus	LD50	=	1.0	mg.kg-1	PMID[4020828]
-	Mus musculus	LD50	=	1.0	mg.kg-1	PMID[4020828]

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity	Carcinogenicity	Mutagenicity	Cardiotoxicity	Respiratory Toxicity	Eye Irritation	Endocrine Disruption

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]

Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

● The left chart: Distribution of similarity level between NPC260909 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	21512
0.1-0.2	27710
0.2-0.3	596
0.3-0.4	31
0.4-0.5	2
0.5-0.6	3
0.6-0.7	1
0.7-0.8	2
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9677	High Similarity	NPC489610
0.7101	Intermediate Similarity	NPC195788
0.7101	Intermediate Similarity	NPC237901
0.6901	Remote Similarity	NPC485509
0.5946	Remote Similarity	NPC608514
0.5878	Remote Similarity	NPC277353
0.5878	Remote Similarity	NPC600057

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC260909 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	4429
0.1-0.2	4664
0.2-0.3	40
0.3-0.4	3
0.4-0.5	5
0.5-0.6	0
0.6-0.7	5
0.7-0.8	2
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD8460	Phase 4
0.9677	High Similarity	NPD8459	Approved
0.7101	Intermediate Similarity	NPD8466	Phase 4
0.7101	Intermediate Similarity	NPD8467	Approved
0.6901	Remote Similarity	NPD8465	Approved
0.6276	Remote Similarity	NPD8364	Approved
0.6276	Remote Similarity	NPD8489	Phase 1
0.6149	Remote Similarity	NPD8363	Approved
0.6149	Remote Similarity	NPD8365	Clinical (unspecified phase)

Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data