NPASS Compound

Natural Product: NPC197381

Natural Product ID	NPC197381
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	UWKQSNNFCGGAFS-XIFFEERXSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	60838
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000279] Alkaloids and derivatives [CHEMONTID:0000240] Camptothecins

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 81 87 0 0 0 0 0 0 0 0999 V2000 -0.8802 2.7820 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 1.4471 -2.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0907 0.7091 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 0.0918 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0843 0.1363 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -0.4905 0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1887 -1.1667 1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -1.2409 1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1582 -0.5931 0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5009 -0.6847 0.6399 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 -0.0902 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5888 -0.0237 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6843 -0.5411 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9737 -0.3633 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1198 0.3754 -1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4951 0.5907 -2.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2915 0.9100 -1.0407 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2464 0.1110 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0794 0.2417 1.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1721 -0.9138 0.1628 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8971 -1.3327 1.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4209 -0.1943 2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6665 -2.0519 -0.4957 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9898 0.8785 -2.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1622 1.5505 -3.3282 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7377 0.6885 -1.7965 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 1.1349 -2.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4724 0.5972 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -0.4677 1.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -1.4348 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -2.4076 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1918 -1.3248 0.8271 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0983 -2.3294 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 -1.8657 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7337 -0.5259 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 0.4960 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 -0.1928 1.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0468 0.0291 0.4457 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1321 -0.8294 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4056 -0.2704 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6513 1.1622 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3963 1.9933 0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2247 1.2652 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 2.9180 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3128 3.6346 -2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 2.8946 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 0.8701 -2.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 1.6591 -3.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 0.6603 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2914 -1.6611 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 -1.7668 2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5652 -1.1144 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9132 -0.3312 -2.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4861 1.4583 -2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1845 -2.1822 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8469 -1.7400 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3598 0.7483 1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1901 0.0121 3.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4746 -0.4085 2.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5235 -2.8717 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4596 2.2423 -2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2339 0.6816 -3.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -3.3437 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -2.3055 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 -1.8900 1.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 -2.6406 0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.6743 -0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 1.3260 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1533 0.8864 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 -0.4800 2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 0.5163 1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 -1.8670 0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2427 -0.6861 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2784 -0.8804 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3037 -0.4291 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2236 1.2781 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3045 1.5885 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6442 2.9151 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1239 2.2829 1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3561 1.9178 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 0.9273 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 20 23 1 6 15 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 6 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 35 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 28 3 1 0 37 32 1 0 43 38 1 0 9 4 1 0 28 11 2 0 26 12 1 0 20 14 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 5 49 1 0 7 50 1 0 8 51 1 0 13 52 1 0 16 53 1 0 16 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 27 61 1 0 27 62 1 0 33 63 1 0 33 64 1 0 34 65 1 0 34 66 1 0 35 67 1 0 36 68 1 0 36 69 1 0 37 70 1 0 37 71 1 0 39 72 1 0 39 73 1 0 40 74 1 0 40 75 1 0 41 76 1 0 41 77 1 0 42 78 1 0 42 79 1 0 43 80 1 0 43 81 1 0 M END

Standard InCHIKey	UWKQSNNFCGGAFS-XIFFEERXSA-N
Standard InCHI	InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1
SMILES	CCc1c2cc(ccc2nc2-c3cc4c(COC(=O)[C@@]4(CC)O)c(=O)n3Cc12)OC(=O)N1CCC(CC1)N1CCCCC1

Calculated Properties

Physi-Chem Properties

Molecular Weight:	586.28	Volume:	589.793 ? Van der Waals volume.
Dense:	0.994	LogP:	1.895 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	2.162 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-3.299 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	6.0	Rigid Bonds:	40.0
TPSA:	114.2 ? Topological Polar Surface Area.	H-Bond Acceptor:	10.0
H-Bond Donor:	1.0	Rings:	7.0
Heavy Atoms:	10.0

MedChem Properties

QED Drug-Likeness Score:	0.356	GASA:	0.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	3.633	Fsp³:	0.515
MCE-18:	140.8 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Rejected	GSK Rule:	Accepted
Golden Triangle Rule:	Accepted	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.671	Fluc inhibitor:	0.265 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.998 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.775 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.001	Promiscuous compounds:	0.307

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-5.877	MDCK Permeability:	-5.103
Pgp-inhibitor:	0.0	Pgp-substrate:	1.0
PAMPA:	0.915 ? 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):	0.142
20% Bioavailability (F20%):	1.0	30% Bioavailability (F30%):	0.999
50% Bioavailability (F50%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.0	MRP1:	0.998
Plasma Protein Binding (PPB):	59.425%	Volume Distribution (VD):	0.481
Fu:	47.809% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.0
OATP1B3 inhibitor:	0.0	BCRP inhibitor:	0.419
BSEP inhibitor:	0.747

ADMET: Metabolism

CYP1A2-inhibitor:	0.989	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	1.0	CYP2C19-substrate:	0.0
CYP2C9-inhibitor:	0.0	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.001	CYP2D6-substrate:	0.238
CYP3A4-inhibitor:	1.0	CYP3A4-substrate:	0.0
CYP2B6-substrate:	0.013	CYP2C8-inhibitor:	0.0
HLM stability:	1.0 ? 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):

5.269

Half-life (T1/2):

0.371

ADMET: Toxicity

hERG Blockers:	0.587	hERG Blockers (10um):	0.292
Human Hepatotoxicity (H-HT):	0.984	Drug-induced Liver Injury (DILI):	0.956
AMES Toxicity:	0.98	Rat Oral Acute Toxicity:	0.888
Maximum Recommended Daily Dose:	0.999	Skin Sensitization:	0.993
Carcinogencity:	0.988	Eye Corrosion:	0.0
Eye Irritation:	0.0	Respiratory Toxicity:	0.729
Drug-induced Neurotoxicity:	0.993	Ototoxicity:	0.95
Hematotoxicity:	0.947	Drug-induced Nephrotoxicity:	0.998
Genotoxicity:	1.0	RPMI-8226 Immunitoxicity:	0.732
A549 Cytotoxicity:	0.774	Hek293 Cytotoxicity:	0.984
BCF:	1.232 ? 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:	3.961 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	5.464 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	5.039 ? 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
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s11164-015-2099-x]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s40502-015-0143-x]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1093/pcp/pcg054]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1134/S1021443709050069]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1134/S1021443711030101]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[12713396]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	fruit body	n.a.	PMID[15095145]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[16441081]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16675659]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17559265]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	mycelium	n.a.	PMID[17932820]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	roots	n.a.	n.a.	PMID[18177012]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[20022509]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	fruit body	n.a.	PMID[21028898]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	fruiting body	n.a.	n.a.	PMID[21028898]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	fruiting body	n.a.	n.a.	PMID[21115251]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21866899]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[22074222]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22074222]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23325115]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23517145]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[23541646]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[23867078]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[23867078]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24479468]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[24957203]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25445757]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25744461]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[26595875]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26841168]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28140583]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31891260]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32196343]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39683057]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7381508]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	fruit body	n.a.	PMID[8594142]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17551	Phytolacca americana	Species	Phytolaccaceae	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
CC50	1
Activity	97
Ki	3
Inhibition	18
IC50	231
GI50	20
TGI	13
Ratio	17
IC90	1
GI	5
Ratio IC50	7
IC50 relative	2
CI	27
T/C	1
ID50	3
Survival	1

Activity Type	# Activity
Individual protein	26
Cell line	329
Single protein	3
Organism	18
Unchecked	13
Non-molecular	26
Others	32

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT143	Individual protein	DNA topoisomerase I	Homo sapiens	CC50	>	100000.0	nM	PMID[1846923]
NPT2610	Individual protein	Acyl coenzyme A:cholesterol acyltransferase	Oryctolagus cuniculus	Activity	=	2.147	nM/mg*min	PMID[9871589]
NPT166	Individual protein	Acyl coenzyme A:cholesterol acyltransferase	Homo sapiens	Activity	=	0.129	nM/mg*min	PMID[9871589]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	Ki	=	50.5	nM	PMID[18479118]
NPT2668	Individual protein	Acetylcholinesterase	Torpedo californica	Ki	=	26.4	nM	PMID[18479118]
NPT109	Individual protein	Cytochrome P450 3A4	Homo sapiens	Ki	=	24000.0	nM	PMID[16248836]
NPT1546	Individual protein	Solute carrier family 22 member 3	Homo sapiens	IC50	=	74600.0	nM	PMID[23241029]
NPT1540	Individual protein	Solute carrier family 22 member 2	Homo sapiens	IC50	=	2700.0	nM	PMID[23241029]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	26.9	%	PMID[22541068]
NPT613	Individual protein	Solute carrier family 22 member 1	Homo sapiens	IC50	=	20800.0	nM	PMID[23241029]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	34.3	%	PMID[25618019]
NPT612	Individual protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	Activity	=	101.0	%	PMID[18457386]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Activity	=	60.0	%	PMID[14977862]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Activity	=	60.0	%	PMID[15608127]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	40.5	%	PMID[22541068]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Activity	=	93.3	%	PMID[25618019]
NPT20556	Single protein	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	121.15	%	DOI[10.6019/CHEMBL4495564]
NPT524	Individual protein	Serine-protein kinase ATM	Homo sapiens	Inhibition	n.a.	n.a.	%	PMID[37312863]
NPT622	Individual protein	Solute carrier organic anion transporter family member 2B1	Homo sapiens	Inhibition	=	16.3	%	PMID[22541068]
NPT4036	Individual protein	Multidrug and toxin extrusion protein 2	Homo sapiens	IC50	=	7900.0	nM	PMID[23241029]
NPT4036	Individual protein	Multidrug and toxin extrusion protein 2	Homo sapiens	IC50	=	78600.0	nM	PMID[23241029]
NPT29454	Single protein	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	Homo sapiens	Inhibition	=	-5.538	%	PMID[38318365]
NPT19507	Single protein	Liver carboxylesterase 3	Rattus norvegicus	Activity	=	0.259	nM/mg*min	PMID[9871589]
NPT4037	Individual protein	Multidrug and toxin extrusion protein 1	Homo sapiens	IC50	=	4300.0	nM	PMID[23241029]
NPT4037	Individual protein	Multidrug and toxin extrusion protein 1	Homo sapiens	IC50	=	2100.0	nM	PMID[23241029]
NPT4037	Individual protein	Multidrug and toxin extrusion protein 1	Homo sapiens	Inhibition	=	49.0	%	PMID[23241029]
NPT4037	Individual protein	Multidrug and toxin extrusion protein 1	Homo sapiens	IC50	=	7900.0	nM	PMID[23241029]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT137	Cell line	L1210	Mus musculus	IC50	=	1200.0	nM	PMID[1846923]
NPT1986	Cell line	RPMI 8402	Homo sapiens	IC50	=	570.0	nM	PMID[12747798]
NPT83	Cell line	MCF7	Homo sapiens	GI50	>	1000.0	nM	PMID[17418582]
NPT165	Cell line	HeLa	Homo sapiens	GI50	>	1000.0	nM	PMID[17418582]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	250.0	%	PMID[18191399]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	298.0	%	PMID[18191399]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	266.0	%	PMID[18191399]
NPT81	Cell line	A549	Homo sapiens	IC50	=	6528.0	nM	PMID[18207748]
NPT114	Cell line	LoVo	Homo sapiens	IC50	=	9015.0	nM	PMID[18207748]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	17403.0	nM	PMID[18207748]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	75.0	mm3	PMID[18676151]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	63.0	mm3	PMID[18676151]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	19.0	mm3	PMID[18676151]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	2.0	mm3	PMID[18676151]
NPT4246	Cell line	LS174T	Homo sapiens	IC50	=	1160.0	nM	PMID[18513976]
NPT550	Cell line	T-24	Homo sapiens	Inhibition	=	23.8	%	PMID[18313176]
NPT2188	Cell line	SJSA-1	Homo sapiens	Inhibition	=	0.0002	%	PMID[19928922]
NPT65	Cell line	HepG2	Homo sapiens	GI50	=	5940.0	nM	PMID[19796956]
NPT171	Cell line	MRC5	Homo sapiens	GI50	=	77530.0	nM	PMID[19796956]
NPT81	Cell line	A549	Homo sapiens	GI50	>	10000.0	nM	PMID[19796956]
NPT400	Cell line	MDA-MB-435	Homo sapiens	Activity	<	100.0	mm3	PMID[20359224]
NPT81	Cell line	A549	Homo sapiens	IC50	=	4610.0	nM	PMID[20371183]
NPT400	Cell line	MDA-MB-435	Homo sapiens	IC50	=	1140.0	nM	PMID[20371183]
NPT114	Cell line	LoVo	Homo sapiens	IC50	=	4990.0	nM	PMID[20371183]
NPT81	Cell line	A549	Homo sapiens	TGI	=	51.0	%	PMID[20371183]
NPT81	Cell line	A549	Homo sapiens	IC50	=	6400.0	nM	PMID[20942490]
NPT114	Cell line	LoVo	Homo sapiens	IC50	=	8800.0	nM	PMID[20942490]
NPT400	Cell line	MDA-MB-435	Homo sapiens	IC50	=	17000.0	nM	PMID[20942490]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	220.0	nM	PMID[21341674]
NPT1396	Cell line	NCI-H69	Homo sapiens	IC50	=	22.0	nM	PMID[21341674]
NPT397	Cell line	NCI-H460	Homo sapiens	Ratio	=	2.0	n.a.	PMID[21341674]
NPT397	Cell line	NCI-H460	Homo sapiens	IC50	=	27.0	nM	PMID[21341674]
NPT458	Cell line	IGROV-1	Homo sapiens	IC50	=	30.0	nM	PMID[21341674]
NPT858	Cell line	LNCaP	Homo sapiens	IC50	=	9.0	nM	PMID[21341674]
NPT90	Cell line	DU-145	Homo sapiens	IC50	=	200.0	nM	PMID[21341674]
NPT375	Cell line	Malme-3M	Homo sapiens	IC50	=	200.0	nM	PMID[21341674]
NPT1083	Cell line	A-375	Homo sapiens	IC50	=	4.0	nM	PMID[21341674]
NPT147	Cell line	SK-MEL-2	Homo sapiens	IC50	=	100.0	nM	PMID[21341674]
NPT306	Cell line	PC-3	Homo sapiens	IC50	=	4.0	nM	PMID[21341674]
NPT397	Cell line	NCI-H460	Homo sapiens	IC50	=	15.0	nM	PMID[21341674]
NPT393	Cell line	HCT-116	Homo sapiens	GI	=	85.0	%	PMID[21955454]
NPT65	Cell line	HepG2	Homo sapiens	GI50	=	5940.0	nM	PMID[22079254]
NPT81	Cell line	A549	Homo sapiens	GI50	>	10000.0	nM	PMID[22079254]
NPT83	Cell line	MCF7	Homo sapiens	GI50	>	10000.0	nM	PMID[22079254]
NPT82	Cell line	MDA-MB-231	Homo sapiens	GI50	=	9170.0	nM	PMID[22079254]
NPT393	Cell line	HCT-116	Homo sapiens	GI50	=	7100.0	nM	PMID[22867019]
NPT400	Cell line	MDA-MB-435	Homo sapiens	GI50	=	12200.0	nM	PMID[22867019]
NPT81	Cell line	A549	Homo sapiens	GI50	=	5000.0	nM	PMID[22867019]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	18.3	%	PMID[23088521]
NPT91	Cell line	KB	Homo sapiens	IC50	=	9830.0	nM	PMID[23102893]
NPT90	Cell line	DU-145	Homo sapiens	IC50	=	9300.0	nM	PMID[23102893]
NPT81	Cell line	A549	Homo sapiens	IC50	=	9480.0	nM	PMID[23102893]
NPT81	Cell line	A549	Homo sapiens	TGI	=	50.0	%	PMID[23360284]
NPT2410	Cell line	NCI-H1299	Homo sapiens	TGI	=	67.0	%	PMID[25589931]
NPT2410	Cell line	NCI-H1299	Homo sapiens	TGI	=	83.0	%	PMID[25589931]
NPT90	Cell line	DU-145	Homo sapiens	IC50	=	9300.0	nM	PMID[25003995]
NPT91	Cell line	KB	Homo sapiens	IC50	=	9800.0	nM	PMID[25003995]
NPT81	Cell line	A549	Homo sapiens	IC50	=	9500.0	nM	PMID[25003995]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	82750.0	nM	PMID[24583355]
NPT111	Cell line	K562	Homo sapiens	GI50	=	1900.0	nM	PMID[25420175]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	123.0	mm3	PMID[25835359]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	152.0	mm3	PMID[25835359]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	223.0	mm3	PMID[25835359]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	316.0	mm3	PMID[25835359]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	387.0	mm3	PMID[25835359]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	538.0	mm3	PMID[25835359]
NPT81	Cell line	A549	Homo sapiens	IC50	=	20100.0	nM	PMID[26226379]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	18600.0	nM	PMID[26226379]
NPT400	Cell line	MDA-MB-435	Homo sapiens	IC50	=	6300.0	nM	PMID[26226379]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	12300.0	nM	PMID[26595875]
NPT2170	Cell line	RKO	Homo sapiens	IC50	=	6200.0	nM	PMID[26595875]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1900.0	nM	PMID[26731300]
NPT2424	Cell line	T84	Homo sapiens	IC50	=	1200.0	nM	PMID[26731300]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	900.0	nM	PMID[26731300]
NPT91	Cell line	KB	Homo sapiens	IC50	=	9828.0	nM	PMID[26994847]
NPT81	Cell line	A549	Homo sapiens	IC50	=	9480.0	nM	PMID[26994847]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	900.0	nM	PMID[26841168]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	1400.0	nM	PMID[26841168]
NPT81	Cell line	A549	Homo sapiens	IC50	=	800.0	nM	PMID[26841168]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	500.0	nM	PMID[26841168]
NPT547	Cell line	BGC-823	Homo sapiens	TGI	=	94.1	%	PMID[27871039]
NPT81	Cell line	A549	Homo sapiens	IC50	=	8300.0	nM	PMID[28285912]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	15600.0	nM	PMID[28285912]
NPT91	Cell line	KB	Homo sapiens	IC50	=	7990.0	nM	PMID[28285912]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	11300.0	nM	PMID[28285912]
NPT81	Cell line	A549	Homo sapiens	IC50	=	20000.0	nM	PMID[28351590]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	6300.0	nM	PMID[28351590]
NPT994	Cell line	ZR-75-30	Homo sapiens	IC50	=	18000.0	nM	PMID[28351590]
NPT81	Cell line	A549	Homo sapiens	IC50	=	8310.0	nM	PMID[28789891]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	15560.0	nM	PMID[28789891]
NPT91	Cell line	KB	Homo sapiens	IC50	=	7990.0	nM	PMID[28789891]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	11320.0	nM	PMID[28789891]
NPT91	Cell line	KB	Homo sapiens	IC50	=	7990.0	nM	PMID[28927790]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	15600.0	nM	PMID[28927790]
NPT81	Cell line	A549	Homo sapiens	IC50	=	8300.0	nM	PMID[28927790]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	11300.0	nM	PMID[28927790]
NPT65	Cell line	HepG2	Homo sapiens	Inhibition	=	98.9	%	PMID[28140583]
NPT81	Cell line	A549	Homo sapiens	Inhibition	=	91.8	%	PMID[28140583]
NPT83	Cell line	MCF7	Homo sapiens	Inhibition	=	93.6	%	PMID[28140583]
NPT660	Cell line	SW480	Homo sapiens	Inhibition	=	95.0	%	PMID[28140583]
NPT65	Cell line	HepG2	Homo sapiens	Activity	=	0.47	g	PMID[30025344]
NPT323	Cell line	SW-620	Homo sapiens	TGI	=	74.0	%	PMID[30128072]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	1633.47	nM	PMID[30115492]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1880.93	nM	PMID[30115492]
NPT2086	Cell line	L-428	Homo sapiens	IC50	>	10000.0	nM	PMID[29150335]
NPT2133	Cell line	KM-H2	Homo sapiens	IC50	>	10000.0	nM	PMID[29150335]
NPT1189	Cell line	DG-75	Homo sapiens	IC50	>	10000.0	nM	PMID[29150335]
NPT2678	Cell line	NB-4	Homo sapiens	IC50	=	1000.0	nM	PMID[29150335]
NPT2086	Cell line	L-428	Homo sapiens	Activity	=	0.0	%	PMID[29150335]
NPT2133	Cell line	KM-H2	Homo sapiens	Activity	=	12.0	%	PMID[29150335]
NPT1189	Cell line	DG-75	Homo sapiens	Activity	=	0.0	%	PMID[29150335]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	4800.0	nM	PMID[29150335]
NPT90	Cell line	DU-145	Homo sapiens	IC50	=	2800.0	nM	PMID[29150335]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	4000.0	nM	PMID[29150335]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	3800.0	nM	PMID[29150335]
NPT397	Cell line	NCI-H460	Homo sapiens	IC50	=	2400.0	nM	PMID[29150335]
NPT2309	Cell line	CAPAN-1	Homo sapiens	IC50	=	1500.0	nM	PMID[29150335]
NPT762	Cell line	A-431	Homo sapiens	IC50	=	4100.0	nM	PMID[29150335]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	5800.0	nM	PMID[29150335]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	3550.0	nM	PMID[31675512]
NPT139	Cell line	HT-29	Homo sapiens	Ratio IC50	=	1.12	n.a.	PMID[31675512]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	3960.0	nM	PMID[31675512]
NPT139	Cell line	HT-29	Homo sapiens	GI	=	22.85	%	PMID[30359819]
NPT139	Cell line	HT-29	Homo sapiens	GI	=	37.35	%	PMID[30359819]
NPT139	Cell line	HT-29	Homo sapiens	GI	=	54.71	%	PMID[30359819]
NPT139	Cell line	HT-29	Homo sapiens	GI	=	59.29	%	PMID[30359819]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	800.0	nM	PMID[31891260]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	1400.0	nM	PMID[31891260]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1557.0	nM	PMID[32352777]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	498.0	nM	PMID[32352777]
NPT783	Cell line	MIA PaCa-2	Homo sapiens	IC50	=	1329.0	nM	PMID[32352777]
NPT2309	Cell line	CAPAN-1	Homo sapiens	IC50	=	1121.0	nM	PMID[32352777]
NPT81	Cell line	A549	Homo sapiens	IC50	=	32.0	nM	PMID[30660827]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	32.0	nM	PMID[30660827]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	32.0	nM	PMID[30660827]
NPT81	Cell line	A549	Homo sapiens	IC50	=	16530.0	nM	PMID[31972391]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	12250.0	nM	PMID[31972391]
NPT2351	Cell line	MG-63	Homo sapiens	IC50	=	18090.0	nM	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	=	13630.0	nM	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Inhibition	=	53.5	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	51.2	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	81.99	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	21.58	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	85.03	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	6.24	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	>	5.78	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	2.9	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	66.27	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	3.72	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	30.01	%	PMID[31972391]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	80.86	%	PMID[31972391]
NPT1045	Cell line	U2OS	Homo sapiens	IC50	=	14210.0	nM	PMID[31972391]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	4.4	nM	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	IC50	=	5.1	nM	PMID[33221063]
NPT2424	Cell line	T84	Homo sapiens	IC50	=	6.9	nM	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	0.34	%	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	5.3	%	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	13.18	%	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	81.18	%	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	4.12	%	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	7.84	%	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	87.7	%	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	55.12	%	PMID[33221063]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	33.53	%	PMID[33221063]
NPT81	Cell line	A549	Homo sapiens	IC50	=	5237.6	nM	PMID[31881457]
NPT91	Cell line	KB	Homo sapiens	IC50	=	6314.3	nM	PMID[31881457]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	14282.0	nM	PMID[31881457]
NPT65	Cell line	HepG2	Homo sapiens	IC50	>	100000.0	nM	PMID[32668379]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	>	100000.0	nM	PMID[32668379]
NPT1312	Cell line	SW1990	Homo sapiens	IC50	>	100000.0	nM	PMID[32668379]
NPT71	Cell line	HEK293	Homo sapiens	IC50	>	100000.0	nM	PMID[32668379]
NPT407	Cell line	COLO 205	Homo sapiens	TGI	=	75.0	%	PMID[33062160]
NPT407	Cell line	COLO 205	Homo sapiens	Activity	=	162.0	%	PMID[33062160]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	9500.0	nM	PMID[32736230]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	9700.0	nM	PMID[32736230]
NPT380	Cell line	U-251	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[33915258]
NPT65	Cell line	HepG2	Homo sapiens	IC50 relative	=	10100.0	nM	ECBD screening data for assay EOS300108
NPT2341	Cell line	NCI-H1975	Homo sapiens	IC50	=	21490.0	nM	PMID[34459195]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	12030.0	nM	PMID[34459195]
NPT1183	Cell line	WiDr	Homo sapiens	IC50	=	13900.0	nM	PMID[34425478]
NPT65	Cell line	HepG2	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[34425478]
NPT401	Cell line	786-0	Homo sapiens	IC50	=	2250.0	nM	PMID[34459195]
NPT2170	Cell line	RKO	Homo sapiens	IC50	=	700.0	nM	PMID[35544614]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	1.3	n.a.	PMID[35231830]
NPT937	Cell line	NCI-H446	Homo sapiens	IC50	=	0.15	nM	PMID[35932565]
NPT407	Cell line	COLO 205	Homo sapiens	IC50	=	9900.0	nM	PMID[37413981]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[37438997]
NPT660	Cell line	SW480	Homo sapiens	CI	=	0.25	n.a.	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	1.6	n.a.	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	7200.0	nM	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	12400.0	nM	PMID[35231830]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	14220.0	nM	PMID[36639036]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	6.15	%	PMID[36639036]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	160.0	nM	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	CI	=	1.1	n.a.	PMID[35231830]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	1.7	%	PMID[37438997]
NPT2615	Cell line	HEK-293T	Homo sapiens	IC50	=	19830.0	nM	PMID[36639036]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1680.0	nM	PMID[35231830]
NPT116	Cell line	HL-60	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[33915258]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1880.0	nM	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	1830.0	nM	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	CI	=	3.4	n.a.	PMID[35231830]
NPT81	Cell line	A549	Homo sapiens	IC50	=	2000.0	nM	PMID[35964428]
NPT81	Cell line	A549	Homo sapiens	IC50	=	9140.0	nM	PMID[34175539]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	34070.0	nM	PMID[35964428]
NPT397	Cell line	NCI-H460	Homo sapiens	IC50	=	5150.0	nM	PMID[34459195]
NPT660	Cell line	SW480	Homo sapiens	CI	=	1.02	n.a.	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	800.0	nM	PMID[33915258]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	14100.0	nM	PMID[34048881]
NPT937	Cell line	NCI-H446	Homo sapiens	Activity	=	2.28	g	PMID[35932565]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	52.3	%	PMID[37438997]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	26.0	%	PMID[37438997]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	38100.0	nM	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	0.97	n.a.	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	600.0	nM	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	IC50	<	120.0	nM	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	Activity	=	10.7	%	PMID[36639036]
NPT323	Cell line	SW-620	Homo sapiens	IC50	=	980.0	nM	PMID[37438997]
NPT2399	Cell line	NCI-H2170	Homo sapiens	IC50	=	18810.0	nM	PMID[34459195]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	210.0	nM	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	0.18	n.a.	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	70.0	nM	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	CI	n.a.	n.a.	n.a.	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	9830.0	nM	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	0.78	n.a.	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	15220.0	nM	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	CI	n.a.	n.a.	n.a.	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	CI	=	1.13	n.a.	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	1670.0	nM	PMID[35231830]
NPT323	Cell line	SW-620	Homo sapiens	IC50	=	230.0	nM	PMID[37438997]
NPT937	Cell line	NCI-H446	Homo sapiens	IC50	=	0.01	nM	PMID[35932565]
NPT660	Cell line	SW480	Homo sapiens	CI	=	1.6	n.a.	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[35231830]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	19.9	%	PMID[37438997]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	1.51	%	PMID[36639036]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	1400.0	nM	PMID[33915258]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	2.1	n.a.	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	2420.0	nM	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	1.49	n.a.	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	13130.0	nM	PMID[35231830]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	8510.0	nM	PMID[37413981]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	15400.0	nM	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1980.0	nM	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	CI	=	0.25	n.a.	PMID[35231830]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	6850.0	nM	PMID[34048881]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	11170.0	nM	PMID[36639036]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	39200.0	nM	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	Activity	=	3.45	%	PMID[36639036]
NPT405	Cell line	NCI-H226	Homo sapiens	IC50	=	4250.0	nM	PMID[34459195]
NPT83	Cell line	MCF7	Homo sapiens	CI	n.a.	n.a.	n.a.	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	0.16	n.a.	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	26330.0	nM	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	270.0	nM	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	CI	=	0.66	n.a.	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	3800.0	nM	PMID[35544614]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[34425478]
NPT323	Cell line	SW-620	Homo sapiens	IC50	=	140.0	nM	PMID[37312863]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	910.0	nM	PMID[37312863]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	6.2	%	PMID[37312863]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	910.0	nM	PMID[37438997]
NPT4246	Cell line	LS174T	Homo sapiens	IC50	=	700.0	nM	PMID[35544614]
NPT2104	Cell line	NCI-H1417	Homo sapiens	IC50	=	9790.0	nM	PMID[34459195]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	1.16	n.a.	PMID[35231830]
NPT1820	Cell line	NCI-H1650	Homo sapiens	IC50	=	39670.0	nM	PMID[34459195]
NPT937	Cell line	NCI-H446	Homo sapiens	IC50	=	0.13	nM	PMID[35932565]
NPT660	Cell line	SW480	Homo sapiens	CI	=	2.4	n.a.	PMID[35231830]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	0.256	%	PMID[36639036]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	21.89	%	PMID[37312863]
NPT2039	Cell line	NCI-H82	Homo sapiens	IC50	=	2260.0	nM	PMID[34459195]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	4240.0	nM	PMID[34048881]
NPT81	Cell line	A549	Homo sapiens	IC50	=	26690.0	nM	PMID[34048881]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	600.0	nM	PMID[35544614]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	220.0	nM	PMID[35231830]
NPT323	Cell line	SW-620	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[37312863]
NPT81	Cell line	A549	Homo sapiens	T/C	=	0.4	n.a.	PMID[36655132]
NPT323	Cell line	SW-620	Homo sapiens	TGI	=	69.2	%	PMID[37438997]
NPT306	Cell line	PC-3	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[34425478]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	42400.0	nM	PMID[35231830]
NPT83	Cell line	MCF7	Homo sapiens	CI	=	1.4	n.a.	PMID[35231830]
NPT1967	Cell line	NCI-H526	Homo sapiens	IC50	=	490.0	nM	PMID[34459195]
NPT148	Cell line	HCT-15	Homo sapiens	IC50	=	2700.0	nM	PMID[35544614]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	4.61	%	PMID[37312863]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	67.31	%	PMID[37312863]
NPT937	Cell line	NCI-H446	Homo sapiens	TGI	=	26.79	%	PMID[35932565]
NPT660	Cell line	SW480	Homo sapiens	Activity	=	0.871	%	PMID[36639036]
NPT660	Cell line	SW480	Homo sapiens	Activity	=	85.0	%	PMID[36639036]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	11120.0	nM	PMID[35231830]
NPT2410	Cell line	NCI-H1299	Homo sapiens	CI	=	1.04	n.a.	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	CI	=	3.2	n.a.	PMID[35231830]
NPT660	Cell line	SW480	Homo sapiens	CI	=	0.22	n.a.	PMID[35231830]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	35.4	%	PMID[36639036]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	92.5	%	PMID[36639036]
NPT660	Cell line	SW480	Homo sapiens	Activity	=	74.5	%	PMID[36639036]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	3690.0	nM	PMID[37413981]
NPT81	Cell line	A549	Homo sapiens	IC50	=	19710.0	nM	PMID[34459195]
NPT393	Cell line	HCT-116	Homo sapiens	ID50	=	540.0	nM	PMID[11965362]
NPT4465	Cell line	HCT-116/VM46	Homo sapiens	ID50	=	220.0	nM	PMID[11965362]
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	ID50	>	500.0	nM	PMID[11965362]
NPT26265	Cell line	JeKo-1	Homo sapiens	Activity	=	48.0	%	PMID[29150335]
NPT26265	Cell line	JeKo-1	Homo sapiens	IC50	>	10000.0	nM	PMID[29150335]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	0.01	%	DOI[10.6019/CHEMBL4495565]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	14980.0	nM	PMID[34459195]
NPT28438	Unchecked	Unchecked	n.a.	IC50	n.a.	n.a.	n.a.	PMID[36780832]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	29300.0	nM	PMID[36018000]
NPT18706	Cell line	Mononuclear cell line	n.a.	IC50	=	25400.0	nM	PMID[36018000]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	1.78	n.a.	PMID[36639036]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	13170.0	nM	PMID[36780832]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	15.0	n.a.	PMID[35932565]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	1.99	n.a.	PMID[36639036]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	89600.0	nM	PMID[36018000]
NPT21763	Cell line	CCD-18Co	Homo sapiens	IC50	=	18500.0	nM	PMID[35544614]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	13.0	n.a.	PMID[35932565]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	3.2	n.a.	PMID[36780832]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	4090.0	nM	PMID[36780832]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	100000.0	nM	PMID[12747798]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	680.0	nM	PMID[18771930]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	7400.0	nM	PMID[18771930]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	40000.0	nM	PMID[18771930]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	4730.0	nM	PMID[19796956]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	>	10000.0	nM	PMID[19796956]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	14125.38	nM	PMID[21035334]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	250.0	nM	PMID[21341674]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	22.0	nM	PMID[21341674]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	10.0	nM	PMID[21341674]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	4730.0	nM	PMID[22079254]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	>	10000.0	nM	PMID[22079254]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	20000.0	nM	PMID[23102893]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	20000.0	nM	PMID[25003995]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	7530.0	nM	PMID[24583355]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	25100.0	nM	PMID[24583355]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	85.0	%	PMID[24583355]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	90.0	%	PMID[24583355]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	250000.0	nM	DOI[10.1039/C4MD00264D]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2000.0	nM	PMID[26595875]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	8500.0	nM	PMID[26595875]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	68.6	%	PMID[26595875]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	800.0	nM	PMID[26731300]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	20000.0	nM	PMID[26994847]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	70.2	%	PMID[27017265]
NPT26782	Cell line	OCI-Ly3	Homo sapiens	IC50	>	10000.0	nM	PMID[29150335]
NPT26782	Cell line	OCI-Ly3	Homo sapiens	Activity	=	0.0	%	PMID[29150335]
NPT29020	Cell line	Ovarian cancer cell line	Homo sapiens	IC50	=	75300.0	nM	PMID[36018000]
NPT29328	Cell line	NCI-H520	Homo sapiens	IC50	=	36160.0	nM	PMID[34459195]
NPT21742	Cell line	L02	Homo sapiens	IC50	=	1305.0	nM	PMID[32352777]
NPT21742	Cell line	L02	Homo sapiens	IC50	=	22220.0	nM	PMID[36639036]
NPT30112	Cell line	NCI-H211	Homo sapiens	IC50	=	2810.0	nM	PMID[34459195]
NPT27	Others	Unspecified	n.a.	Ratio	=	85.0	n.a.	PMID[21341674]
NPT27	Others	Unspecified	n.a.	IC50	=	1.0	nM	PMID[21341674]
NPT27	Others	Unspecified	n.a.	IC50	=	110.0	nM	PMID[21341674]
NPT2	Others	Unspecified	n.a.	Ratio	=	11.0	n.a.	PMID[21341674]
NPT2	Others	Unspecified	n.a.	Ratio	=	2.0	n.a.	PMID[21341674]
NPT27	Others	Unspecified	n.a.	IC90	=	800.0	nM	PMID[21341674]
NPT27	Others	Unspecified	n.a.	Ratio	=	100.0	n.a.	PMID[21341674]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.54	n.a.	PMID[23241029]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.1	n.a.	PMID[23241029]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.29	n.a.	PMID[23241029]
NPT27	Others	Unspecified	n.a.	Ratio	=	29.0	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	2.7	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	3.7	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	54.0	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	23.0	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	66.0	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	1.7	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	38.0	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	21.0	n.a.	PMID[21051535]
NPT2	Others	Unspecified	n.a.	IC50	>	20000.0	nM	PMID[28285912]
NPT2	Others	Unspecified	n.a.	IC50	>	20000.0	nM	PMID[28789891]
NPT2	Others	Unspecified	n.a.	IC50	>	20000.0	nM	PMID[28927790]
NPT2	Others	Unspecified	n.a.	IC50	=	740.0	nM	PMID[29150335]
NPT2	Others	Unspecified	n.a.	IC50	>	10000.0	nM	PMID[29150335]
NPT2	Others	Unspecified	n.a.	Activity	=	36.0	%	PMID[29150335]
NPT2	Others	Unspecified	n.a.	IC50	=	10000.0	nM	PMID[29150335]
NPT2	Others	Unspecified	n.a.	IC50	=	9400.0	nM	PMID[29150335]
NPT28196	Cell line	U2932	Homo sapiens	IC50	=	4400.0	nM	PMID[29150335]
NPT2	Others	Unspecified	n.a.	IC50	=	20100.0	nM	PMID[29150335]
NPT28197	Cell line	MM473	Homo sapiens	Inhibition	=	37.0	%	PMID[29150335]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	5.3	n.a.	PMID[29150335]
NPT2	Others	Unspecified	n.a.	IC50	=	26550.0	nM	PMID[31972391]
NPT2	Others	Unspecified	n.a.	IC50	=	10376.3	nM	PMID[31881457]
NPT21740	Cell line	CCD-841CoN	Homo sapiens	IC50	=	90250.0	nM	PMID[34048881]
NPT21740	Cell line	CCD-841CoN	Homo sapiens	IC50	=	13200.0	nM	PMID[35544614]
NPT17348	Cell line	NCI-H146	Homo sapiens	IC50	=	11510.0	nM	PMID[34459195]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	19.5	g	PMID[20359224]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	19.8	g	PMID[20359224]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	18.4	g	PMID[20359224]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	20.7	g	PMID[20359224]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	8.0	%	PMID[24583355]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	12.7	%	PMID[25835359]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	19.9	g	PMID[25835359]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	20.8	g	PMID[25835359]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	21.6	g	PMID[25835359]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	22.4	g	PMID[25835359]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	22.3	g	PMID[25835359]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	21.3	g	PMID[25835359]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	3.66	g	PMID[27017265]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	20.5	g	PMID[27871039]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	147.0	g	PMID[27871039]
NPT2	Others	Unspecified	n.a.	Survival	=	10.3	months	PMID[14987046]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference
Mus musculus	Liver	Drug uptake	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Gastrointestinal tract	Drug uptake	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Stomach	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Brain	Drug uptake	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Neoplasm	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Lung	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Spleen	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Brain	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Neoplasm	Drug uptake	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Liver	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Intestine	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Heart	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Heart	Drug uptake	n.a.	n.a.	n.a.	PMID[37413981]
Rattus norvegicus	n.a.	T1/2	=	56.8	hr	PMID[35413618]
Mus musculus	Kidney	Drug metabolism	n.a.	n.a.	n.a.	PMID[37413981]
Mus musculus	Spleen	Drug uptake	n.a.	n.a.	n.a.	PMID[37413981]

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference
-	Mus musculus	LD50	=	177.5	mg.kg-1	PMID[25003995]

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 NPC197381 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	21060
0.1-0.2	28688
0.2-0.3	99
0.3-0.4	3
0.4-0.5	6
0.5-0.6	2
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.596	Remote Similarity	NPC276661
0.54	Remote Similarity	NPC608071

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC197381 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	3616
0.1-0.2	5448
0.2-0.3	62
0.3-0.4	5
0.4-0.5	8
0.5-0.6	8
0.6-0.7	0
0.7-0.8	0
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	NPD7797	Phase 4
0.9889	High Similarity	NPD7796	Approved
0.596	Remote Similarity	NPD4897	Phase 2
0.5789	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.5631	Remote Similarity	NPD6261	Phase 2
0.5421	Remote Similarity	NPD6249	Phase 3
0.537	Remote Similarity	NPD6248	Phase 2
0.5093	Remote Similarity	NPD5507	Phase 4
0.5088	Remote Similarity	NPD7025	Phase 2
0.5046	Remote Similarity	NPD5506	Approved

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