NPASS Compound

Natural Product: NPC478574

Natural Product ID	NPC478574
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	UCSJYZPVAKXKNQ-ZCTIVXDHSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	6602485
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0004603] Organic oxygen compounds [CHEMONTID:0000323] Organooxygen compounds [CHEMONTID:0000011] Carbohydrates and carbohydrate conjugates [CHEMONTID:0003305] Aminosaccharides [CHEMONTID:0000282] Aminoglycosides [CHEMONTID:0001675] Aminocyclitol glycosides

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 79 81 0 0 0 0 0 0 0 0999 V2000 -0.0073 -3.0572 3.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 -2.9624 2.5098 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9725 -1.6732 2.7354 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3801 -2.0540 2.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9501 -2.6304 2.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 -0.9970 1.3992 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3718 -1.5252 1.0854 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6670 -2.9185 1.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 -1.1974 -0.1721 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 -0.5880 -0.2835 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1770 -1.4699 -1.0795 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6975 -0.7974 -2.3193 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2938 0.5692 -2.0458 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6723 1.2735 -0.9058 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2088 0.8148 -0.8183 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6775 1.6769 0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 2.6427 -1.1729 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7209 0.4955 -2.0473 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6183 1.5675 -1.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1944 2.4765 -1.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 1.6219 -2.4433 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7055 -0.7519 -3.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 -1.9649 -0.2658 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -2.8113 -0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -3.5770 -1.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 -2.8541 -0.2939 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 0.3569 1.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7712 0.8348 0.5172 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8567 1.5527 1.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9439 2.0631 0.3155 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6622 1.5081 -1.0607 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2755 1.9457 -1.4479 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0031 1.2505 -2.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0887 -0.1288 -2.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 1.5075 -0.5925 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5555 2.0581 -1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 1.6175 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3747 2.7119 1.9562 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4643 2.2899 2.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -1.0328 3.7919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 -3.4296 2.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2315 -2.0858 3.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2523 -3.7534 4.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8222 -3.8527 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9478 -1.8712 3.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 -1.4869 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 -1.2303 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6583 -0.5248 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 -2.3588 -1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 -1.4426 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 1.1771 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 1.0606 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7215 0.9287 -1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 1.2392 1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 3.0655 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -0.4563 -2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8332 3.2809 -0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4672 2.4614 -2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2175 0.8281 -3.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8859 0.0171 -3.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3595 -1.7100 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6351 -4.2332 -2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 -2.6721 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 -3.0848 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 -0.0880 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 0.8607 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8943 3.1686 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8163 0.4196 -1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 3.0257 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 1.4564 -3.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 1.4485 -3.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 -0.6248 -2.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7072 1.4098 -2.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8785 2.3115 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 3.4050 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 2.2858 2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5587 3.0325 3.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7379 1.2772 3.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 -1.0988 4.5773 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 2 0 3 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 13 18 1 0 18 19 1 0 19 20 2 3 19 21 1 0 12 22 1 0 11 23 1 0 23 24 1 0 24 25 2 3 24 26 1 0 6 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 32 35 1 0 31 36 1 0 30 37 1 0 29 38 1 0 38 39 1 0 3 40 1 1 8 2 1 0 15 10 1 0 35 28 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 6 4 45 1 0 6 46 1 6 7 47 1 1 10 48 1 1 11 49 1 6 12 50 1 6 13 51 1 6 14 52 1 1 15 53 1 6 16 54 1 0 17 55 1 0 18 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 23 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 28 65 1 6 29 66 1 1 30 67 1 6 31 68 1 1 32 69 1 6 33 70 1 0 33 71 1 0 34 72 1 0 36 73 1 0 37 74 1 0 38 75 1 0 39 76 1 0 39 77 1 0 39 78 1 0 40 79 1 0 M END

Standard InCHIKey	UCSJYZPVAKXKNQ-ZCTIVXDHSA-N
Standard InCHI	InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1
SMILES	C[C@H]1[C@](C=O)([C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)NC(=N)N)O)NC(=N)N)O[C@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)NC)O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	581.27	Volume:	520.653 ? Van der Waals volume.
Dense:	1.116	LogP:	-2.581 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	-1.376 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-1.293 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	11.0	Rigid Bonds:	20.0
TPSA:	331.43 ? Topological Polar Surface Area.	H-Bond Acceptor:	19.0
H-Bond Donor:	16.0	Rings:	3.0
Heavy Atoms:	19.0

MedChem Properties

QED Drug-Likeness Score:	0.068	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	5.73	Fsp³:	0.857
MCE-18:	77.538 ? 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:	1
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.208	Fluc inhibitor:	0.013 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.006 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.103 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.045	Promiscuous compounds:	0.111

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-6.188	MDCK Permeability:	-5.264
Pgp-inhibitor:	0.0	Pgp-substrate:	1.0
PAMPA:	1.0 ? 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):	1.0
20% Bioavailability (F20%):	0.97	30% Bioavailability (F30%):	1.0
50% Bioavailability (F50%):	0.999

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.001	MRP1:	0.007
Plasma Protein Binding (PPB):	13.165%	Volume Distribution (VD):	-0.708
Fu:	74.239% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.645
OATP1B3 inhibitor:	0.978	BCRP inhibitor:	0.0
BSEP inhibitor:	0.0

ADMET: Metabolism

CYP1A2-inhibitor:	0.0	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	0.0	CYP2C19-substrate:	0.0
CYP2C9-inhibitor:	0.0	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	0.0
CYP3A4-inhibitor:	0.0	CYP3A4-substrate:	0.052
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	0.0
HLM stability:	0.0 ? 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):

0.58

Half-life (T1/2):

2.6

ADMET: Toxicity

hERG Blockers:	0.014	hERG Blockers (10um):	0.063
Human Hepatotoxicity (H-HT):	0.6	Drug-induced Liver Injury (DILI):	0.595
AMES Toxicity:	0.859	Rat Oral Acute Toxicity:	0.004
Maximum Recommended Daily Dose:	0.001	Skin Sensitization:	1.0
Carcinogencity:	0.06	Eye Corrosion:	0.0
Eye Irritation:	0.001	Respiratory Toxicity:	0.004
Drug-induced Neurotoxicity:	0.003	Ototoxicity:	0.962
Hematotoxicity:	0.113	Drug-induced Nephrotoxicity:	0.988
Genotoxicity:	1.0	RPMI-8226 Immunitoxicity:	0.119
A549 Cytotoxicity:	0.076	Hek293 Cytotoxicity:	0.093
BCF:	0.009 ? 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:	2.235 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	4.197 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	3.106 ? 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
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	DOI[10.1016/0006-291X(79)91731-5]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	DOI[10.1093/emboj/18.8.2021]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[1091286]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[10977898]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[1100617]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[11745165]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[11750815]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[12369847]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[12467448]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[12805358]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	ChEBI[131529]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[13610867]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[13831814]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[14973046]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[15031653]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[15292242]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[15610037]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[1644759]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[16630633]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[170247]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[17765195]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[179975]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[19026742]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[19514719]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[19561621]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[21437340]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[21988831]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[22289691]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[22855027]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[23537328]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[23676670]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[241475]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[24206068]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[24783849]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[24831709]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[24939187]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[24966042]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[24967680]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[2543976]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[25867074]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[26195826]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[26337258]
NPO40151	Guignardia sp.	Species	Phyllostictaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26577190]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[26670289]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[26826371]
NPO40080	Colletotrichum sp. BS4	Strain	Glomerellaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26905687]
NPO40488	Cochliobolus lunatus SCSIO41401	Strain	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29786436]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[29897754]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[30302998]
NPO40726	Hormoscilla sp. VPG 16-59	Strain	Gomontiellaceae	Bacteria	n.a.	n.a.	n.a.	PMID[30489078]
NPO40488	Cochliobolus lunatus SCSIO41401	Strain	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30516983]
NPO40039	Atriplex tatarica	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31181926]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[318639]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[3283102]
NPO40639	Penicillium sp. Sb62	Strain	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33314934]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[398096]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[4877125]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[4879561]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[4908789]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[5332408]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[6102982]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[6284709]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[6338507]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[7042909]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[7601837]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[8852895]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[9470222]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40151	Guignardia sp.	Species	Phyllostictaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40726	Hormoscilla sp. VPG 16-59	Strain	Gomontiellaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.jbiosc.2016.12.008]
NPO730	Escherichia coli	Species	Enterobacteriaceae	Bacteria	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
FC	7
Inhibition	7
MIC	282
IZ	53
MBC	23
Activity	15
IC50	2
MBC99.5	18
GI	3
MIC>99	7
MIC90	2
MHC	1
CC50	1

Activity Type	# Activity
Individual protein	3
Cell line	17
Nucleic-acid	2
Single protein	1
Organism	386
Unchecked	10
Nucleic acid	1
Others	1

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT109	Individual protein	Cytochrome P450 3A4	Homo sapiens	FC	=	1.0	n.a.	PMID[27397500]
NPT110	Individual protein	Cytochrome P450 2D6	Homo sapiens	FC	=	1.0	n.a.	PMID[27397500]
NPT212	Individual protein	Cytochrome P450 2C9	Homo sapiens	FC	=	1.0	n.a.	PMID[27397500]
NPT28644	Nucleic-acid	microRNA 21	Homo sapiens	Inhibition	=	80.0	%	PMID[35561631]
NPT28644	Nucleic-acid	microRNA 21	Homo sapiens	FC	=	1.1	n.a.	PMID[35561631]
NPT29454	Single protein	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	Homo sapiens	Inhibition	=	-5.955	%	PMID[38318365]
NPT536	Nucleic acid	microRNA 21	Homo sapiens	Inhibition	=	107.0	%	PMID[30109002]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1970	Cell line	THP-1	Homo sapiens	IC50	>	258000.0	nM	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	100.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	90.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	99.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	86.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	98.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	84.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	89.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	77.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	80.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	69.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	75.0	%	PMID[29529504]
NPT1970	Cell line	THP-1	Homo sapiens	Activity	=	55.0	%	PMID[29529504]
NPT83	Cell line	MCF7	Homo sapiens	FC	=	2.0	n.a.	PMID[30108932]
NPT1970	Cell line	THP-1	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[36399878]
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	IZ	=	22.5	mm	PMID[28927905]
NPT1398	Organism	Salmonella paratyphi	Salmonella enterica subsp. enterica serovar Paratyphi A	IZ	=	30.0	mm	PMID[28927905]
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	6.25	ug.mL-1	PMID[28927905]
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MBC	=	6.25	ug ml-1	PMID[28927905]
NPT1398	Organism	Salmonella paratyphi	Salmonella enterica subsp. enterica serovar Paratyphi A	MIC	=	6.25	ug.mL-1	PMID[28927905]
NPT1398	Organism	Salmonella paratyphi	Salmonella enterica subsp. enterica serovar Paratyphi A	MBC	=	6.25	ug ml-1	PMID[28927905]
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MBC99.5	=	8.6	10'-2microM	PMID[30107969]
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MIC	=	43.0	nM	PMID[30107969]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MBC99.5	=	34.4	10'-2microM	PMID[30107969]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	172.0	nM	PMID[30107969]
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MIC	=	4.3	10'-2 umol/ml	PMID[30108732]
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MBC99.5	=	8.6	10'-2 umol/ml	PMID[30108732]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	17.2	10'-2 umol/ml	PMID[30108732]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MBC99.5	=	34.4	10'-2 umol/ml	PMID[30108732]
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MIC	=	4.3	10'-2mmol/ml	PMID[30108976]
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MBC	=	8.6	10'-2mmol/ml	PMID[30108976]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	IZ	=	18.0	mm	PMID[27476145]
NPT2909	Organism	Shigella flexneri	Shigella flexneri	IZ	=	30.0	mm	PMID[27476145]
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	IZ	=	26.0	mm	PMID[27476145]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	30000.0	nM	PMID[27476145]
NPT2909	Organism	Shigella flexneri	Shigella flexneri	MIC	=	6250.0	nM	PMID[27476145]
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	6250.0	nM	PMID[27476145]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	100.0	ug.mL-1	PMID[33253880]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MBC	=	0.2	mg/ml	PMID[33253880]
NPT28438	Unchecked	Unchecked	n.a.	MIC	=	128.0	ug.mL-1	PMID[36137364]
NPT28438	Unchecked	Unchecked	n.a.	MIC	=	32.0	ug.mL-1	PMID[36137364]
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	48000.0	nM	PMID[35293761]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	IZ	=	18.0	mm	PMID[35694689]
NPT5715	Organism	Yersinia pseudotuberculosis	Yersinia pseudotuberculosis	MIC	=	6700.0	nM	PMID[35293761]
NPT28438	Unchecked	Unchecked	n.a.	MIC	=	2.0	ug.mL-1	PMID[36137364]
NPT1830	Organism	Mycobacterium marinum	Mycobacterium marinum	MIC90	n.a.	n.a.	n.a.	PMID[36399878]
NPT1550	Organism	Bacillus anthracis	Bacillus anthracis	MIC	=	0.25	ug.mL-1	PMID[33764773]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	32.0	ug.mL-1	PMID[36137364]
NPT28438	Unchecked	Unchecked	n.a.	FC	=	1.4	n.a.	PMID[30108932]
NPT28438	Unchecked	Unchecked	n.a.	MIC	>	128.0	ug.mL-1	PMID[36137364]
NPT28438	Unchecked	Unchecked	n.a.	FC	=	2.0	n.a.	PMID[30108932]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	64.0	ug.mL-1	PMID[36137364]
NPT28438	Unchecked	Unchecked	n.a.	MIC	=	64.0	ug.mL-1	PMID[36137364]
NPT1398	Organism	Salmonella paratyphi	Salmonella enterica subsp. enterica serovar Paratyphi A	MIC	=	32.0	ug.mL-1	PMID[36137364]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	128.0	ug.mL-1	PMID[36137364]
NPT1190	Organism	Salmonella enterica	Salmonella enterica	MIC	=	330.0	nM	PMID[35293761]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Activity	n.a.	n.a.	n.a.	PMID[36137364]
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	=	25.0	%	PMID[31931338]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	430.0	nM	PMID[29529504]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	69000.0	nM	PMID[29529504]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.7	ug.mL-1	PMID[29544148]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6.25	ug.mL-1	PMID[29544148]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1320.0	nM	PMID[29638121]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	4000.0	nM	PMID[30097361]
NPT3888	Organism	Micrococcus flavus	Micrococcus flavus	MBC99.5	=	17.2	10'-2microM	PMID[30107969]
NPT3888	Organism	Micrococcus flavus	Micrococcus flavus	MIC	=	86.0	nM	PMID[30107969]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MBC99.5	=	51.6	10'-2microM	PMID[30107969]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MIC	=	258.0	nM	PMID[30107969]
NPT3888	Organism	Micrococcus flavus	Micrococcus flavus	MIC	=	8.6	10'-2 umol/ml	PMID[30108732]
NPT3888	Organism	Micrococcus flavus	Micrococcus flavus	MBC99.5	=	17.2	10'-2 umol/ml	PMID[30108732]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MIC	=	25.8	10'-2 umol/ml	PMID[30108732]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MBC99.5	=	51.6	10'-2 umol/ml	PMID[30108732]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.56	ug.mL-1	PMID[30108731]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	480.0	nM	PMID[30108841]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.25	ug.mL-1	PMID[30108910]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	16.0	mm	PMID[30243590]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	25.0	ug	PMID[30243590]
NPT4839	Organism	Staphylococcus intermedius	Staphylococcus intermedius	MIC	=	10700.0	nM	PMID[31550659]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6.25	ug.mL-1	PMID[30448416]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	17.25	ug.mL-1	PMID[30448416]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	3.1	ug.mL-1	PMID[30489078]
NPT3888	Organism	Micrococcus flavus	Micrococcus flavus	MIC	=	344200.0	nM	PMID[31181926]
NPT3888	Organism	Micrococcus flavus	Micrococcus flavus	MBC	=	516.3	uM	PMID[31181926]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MIC	=	344200.0	nM	PMID[31181926]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MBC	=	516.3	uM	PMID[31181926]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	4.0	ug.mL-1	PMID[30530192]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	5.0	ug.mL-1	PMID[26905687]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MBC	=	1.3	umol/L	PMID[27436581]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MBC	=	2.1	umol/L	PMID[27436581]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	20.0	mm	PMID[27476145]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	25.0	mm	PMID[27476145]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	6250.0	nM	PMID[27476145]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	25000.0	nM	PMID[27476145]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	10700.0	nM	PMID[27595420]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	2.9	ug.mL-1	PMID[26928299]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.0	ug.mL-1	PMID[31753514]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	16.0	ug.mL-1	PMID[31753514]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	<	3.1	ug.mL-1	PMID[31753514]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	25.0	ug.mL-1	PMID[31753514]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.5	ug.mL-1	PMID[31951961]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MIC	=	150.0	ug.mL-1	PMID[33253880]
NPT564	Organism	Listeria monocytogenes	Listeria monocytogenes	MBC	=	0.3	mg/ml	PMID[33253880]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	2.0	ug.mL-1	PMID[30826511]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.8	ug.mL-1	PMID[33130292]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	<	690.0	nM	PMID[33069433]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	87830.0	nM	PMID[33069433]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.0	ug.mL-1	PMID[33190958]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6.25	ug.mL-1	PMID[33032083]
NPT602	Organism	Mycobacterium smegmatis	Mycobacterium smegmatis	MIC	=	4.0	ug.mL-1	PMID[33032083]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	8.0	ug.mL-1	PMID[32283299]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.3	ug.mL-1	PMID[33852304]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	IZ	=	3.0	mm	PMID[34571137]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	6.25	ug.mL-1	PMID[35597009]
NPT29218	Organism	Mycobacteroides chelonae	Mycobacteroides chelonae	GI	n.a.	n.a.	n.a.	PMID[38665829]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC>99	>	32.0	uM	PMID[38157261]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	10.0	mm	PMID[34571137]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	14.0	mm	PMID[34571137]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	IZ	=	2.0	mm	PMID[34571137]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6.25	ug.mL-1	PMID[33588179]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6.25	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.0	ug.mL-1	PMID[37484564]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	200.0	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	64.0	ug.mL-1	PMID[33826327]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	<	1000.0	nM	PMID[34180670]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	8.0	ug.mL-1	PMID[33826327]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	18.0	mm	PMID[35694689]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.0	ug.mL-1	PMID[35487101]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.0	ug.mL-1	PMID[35694687]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	64.0	ug.mL-1	PMID[37484564]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	3.13	ug.mL-1	PMID[33826327]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	16.0	ug.mL-1	PMID[34571137]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	IZ	=	10.0	mm	PMID[34571137]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	2200.0	ug.mL-1	PMID[34715585]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6.25	ug.mL-1	PMID[35597009]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	25.0	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	50.0	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1320.0	nM	PMID[33881312]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.78	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	200.0	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC>99	=	32.0	uM	PMID[38157261]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	16.0	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	2.0	ug.mL-1	PMID[35101648]
NPT29377	Organism	Listeria ivanovii	Listeria ivanovii	MIC	=	4000.0	nM	PMID[35293761]
NPT29807	Organism	Mycobacteroides abscessus	Mycobacteroides abscessus	GI	n.a.	n.a.	n.a.	PMID[38665829]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6.25	ug.mL-1	PMID[35694689]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.39	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.5	ug.mL-1	PMID[30119011]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	11500.0	nM	PMID[38492608]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.0	ug.mL-1	PMID[34116324]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	20.0	mm	PMID[34571137]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	3.125	ug.mL-1	PMID[35597009]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	2.0	ug.mL-1	PMID[34116324]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	18.0	mm	PMID[35694689]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	32.0	ug.mL-1	PMID[33826327]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	2000.0	nM	PMID[34180670]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	8.0	ug.mL-1	PMID[34571137]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6.25	ug.mL-1	PMID[32795767]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	=	0.25	ug.mL-1	PMID[36399878]
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	128.0	ug.mL-1	PMID[36137364]
NPT4078	Organism	Salmonella enterica subsp. enterica serovar Paratyphi B	Salmonella enterica subsp. enterica serovar Paratyphi B	MIC	=	32.0	ug.mL-1	PMID[36137364]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	16.0	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	100.0	ug.mL-1	PMID[33826327]
NPT4201	Organism	Providencia alcalifaciens	Providencia alcalifaciens	MIC	=	9300.0	nM	PMID[35293761]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	<	0.09	ug.mL-1	PMID[33826327]
NPT29807	Organism	Mycobacteroides abscessus	Mycobacteroides abscessus	MIC	n.a.	n.a.	n.a.	PMID[35487101]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	64.0	ug.mL-1	PMID[35487101]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	2.0	ug.mL-1	PMID[28628823]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC>99	=	16.0	uM	PMID[38157261]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.49	ug.mL-1	PMID[35101648]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	170.0	nM	PMID[35293761]
NPT29218	Organism	Mycobacteroides chelonae	Mycobacteroides chelonae	MIC	n.a.	n.a.	n.a.	PMID[35487101]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	128000.0	nM	PMID[35293761]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	64.0	ug.mL-1	PMID[35694687]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	16.2	mm	PMID[36325400]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.19	ug.mL-1	PMID[33826327]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	5.0	ug.mL-1	PMID[36325400]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	6.25	ug.mL-1	PMID[36334453]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.5	ug.mL-1	PMID[34116324]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	64.0	ug.mL-1	PMID[34116324]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	2.0	ug.mL-1	PMID[36334453]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.0	ug.mL-1	PMID[38665829]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1.56	ug.mL-1	PMID[33826327]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	2.0	ug.mL-1	PMID[35597009]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2.4	ug.mL-1	PMID[26577190]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.7	ug.mL-1	PMID[26577190]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	18.0	mm	PMID[29227933]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	25.0	ug.mL-1	PMID[29786436]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	20.3	mm	PMID[28927905]
NPT19	Organism	Escherichia coli	Escherichia coli	Activity	=	500.0	ug ml-1	PMID[28988624]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	500.0	ug ml-1	PMID[28988624]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2090.0	nM	PMID[29422389]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	5240.0	nM	PMID[29422389]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC99.5	=	51.6	10'-2microM	PMID[30107969]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	258.0	nM	PMID[30107969]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC99.5	=	25.8	10'-2microM	PMID[30107969]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	129.0	nM	PMID[30107969]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC99.5	=	34.4	10'-2microM	PMID[30107969]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	172.0	nM	PMID[30107969]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC99.5	=	34.4	10'-2microM	PMID[30107969]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	172.0	nM	PMID[30107969]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC99.5	=	34.4	10'-2microM	PMID[30107969]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	172.0	nM	PMID[30107969]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	258.0	nM	PMID[30107969]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	17.2	10'-2 umol/ml	PMID[30108732]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC99.5	=	34.4	10'-2 umol/ml	PMID[30108732]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	17.2	10'-2 umol/ml	PMID[30108732]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC99.5	=	34.4	10'-2 umol/ml	PMID[30108732]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	17.2	10'-2 umol/ml	PMID[30108732]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC99.5	=	34.4	10'-2 umol/ml	PMID[30108732]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	4.3	10'-2mmol/ml	PMID[30108976]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	17.2	10'-2mmol/ml	PMID[30108976]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	17.2	10'-2mmol/ml	PMID[30108976]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	8.6	10'-2mmol/ml	PMID[30108976]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	17.2	10'-2mmol/ml	PMID[30108976]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC	=	34.4	10'-2mmol/ml	PMID[30108976]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	=	34.4	10'-2mmol/ml	PMID[30108976]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	=	17.2	10'-2mmol/ml	PMID[30108976]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC	=	34.4	10'-2mmol/ml	PMID[30108976]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	13.0	mm	PMID[30243590]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	25.0	ug	PMID[30243590]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	21500.0	nM	PMID[31550659]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	21500.0	nM	PMID[31550659]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	21500.0	nM	PMID[31550659]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	17.25	ug.mL-1	PMID[30448416]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	17.25	ug.mL-1	PMID[30448416]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	6.2	ug.mL-1	PMID[30489078]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	344200.0	nM	PMID[31181926]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	=	516.3	uM	PMID[31181926]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	344200.0	nM	PMID[31181926]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC	=	516.3	uM	PMID[31181926]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	52.5	%	PMID[31181926]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	74.6	%	PMID[31181926]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	89.3	%	PMID[31181926]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[26905687]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	10.0	ug.mL-1	PMID[26905687]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	5.0	ug.mL-1	PMID[26905687]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	IZ	=	25.0	mm	PMID[27476145]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	14.0	mm	PMID[27476145]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	30.0	mm	PMID[27476145]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	25000.0	nM	PMID[27476145]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	6250.0	nM	PMID[27476145]
NPT2760	Organism	Streptomyces scabiei	Streptomyces scabiei	MIC	=	5.8	ug.mL-1	PMID[26928299]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.1	ug.mL-1	PMID[33314934]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2.3	ug.mL-1	PMID[33314934]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	100.0	ug.mL-1	PMID[33253880]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	100.0	ug.mL-1	PMID[33253880]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	=	0.2	mg/ml	PMID[33253880]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	150.0	ug.mL-1	PMID[33253880]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC	=	0.3	mg/ml	PMID[33253880]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	50.0	ug.mL-1	PMID[33253880]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	=	0.1	mg/ml	PMID[33253880]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	100.0	ug.mL-1	PMID[33253880]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC	=	0.2	mg/ml	PMID[33253880]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2.0	ug.mL-1	PMID[30826511]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	4.0	ug.mL-1	PMID[30826511]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2.0	ug.mL-1	PMID[30826511]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	22.2	mm	PMID[32961321]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	25.0	mm	PMID[32961321]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	30.6	mm	PMID[32961321]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	5300.0	nM	PMID[32961321]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	5300.0	nM	PMID[32961321]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	5300.0	nM	PMID[32961321]
NPT1177	Organism	Mycobacterium phlei	Mycobacterium phlei	MIC	=	6.25	ug.mL-1	PMID[33032083]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	16.0	ug.mL-1	PMID[32283299]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	32.0	ug.mL-1	PMID[32283299]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	8.0	ug.mL-1	PMID[32283299]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	=	16.0	ug.mL-1	PMID[32283299]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	32.0	ug.mL-1	PMID[38536967]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	21.0	mm	PMID[30312931]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	6.25	ug.mL-1	PMID[36334453]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	29.0	mm	PMID[30312931]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.25	ug.mL-1	PMID[33764773]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	15.0	mm	PMID[34571137]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	16000.0	nM	PMID[34180670]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2200.0	ug.mL-1	PMID[34715585]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2200.0	nM	PMID[33892275]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	22.0	mm	PMID[32971428]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	32000.0	nM	PMID[34180670]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[33764773]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	<	1000.0	nM	PMID[34180670]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.4	ug.mL-1	PMID[34953341]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	18.0	mm	PMID[35694689]
NPT28561	Organism	Mycolicibacterium fortuitum	Mycolicibacterium fortuitum	MIC	n.a.	n.a.	n.a.	PMID[35487101]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	2200.0	ug.mL-1	PMID[34715585]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	4000.0	nM	PMID[34180670]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	16.0	ug.mL-1	PMID[34571137]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	11900.0	nM	PMID[38492608]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2200.0	ug.mL-1	PMID[34715585]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	8.0	mm	PMID[34571137]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	9300.0	nM	PMID[35293761]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	16000.0	nM	PMID[35293761]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	IZ	=	23.0	mm	PMID[30312931]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	11.0	mm	PMID[34571137]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	5.0	ug.mL-1	PMID[36325400]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	18.0	mm	PMID[35694689]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	4.68	ug.mL-1	PMID[36334453]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	14300.0	nM	PMID[38492608]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.7	ug.mL-1	PMID[34953341]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	4000.0	nM	PMID[34180670]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	4.0	mm	PMID[34571137]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2700.0	nM	PMID[35293761]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	2.0	mm	PMID[34571137]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.89	ug.mL-1	PMID[36334453]
NPT1549	Organism	Vibrio cholerae	Vibrio cholerae	MIC	=	13000.0	nM	PMID[35293761]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	64.0	ug.mL-1	PMID[36137364]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8.0	ug.mL-1	PMID[36137364]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	20.0	mm	PMID[32971428]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	128000.0	nM	PMID[35293761]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	3.5	ug.mL-1	PMID[34953341]
NPT28561	Organism	Mycolicibacterium fortuitum	Mycolicibacterium fortuitum	GI	n.a.	n.a.	n.a.	PMID[38665829]
NPT20950	Cell line	Erythrocyte	n.a.	MHC	>	128.0	ug ml-1	PMID[36137364]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	n.a.	n.a.	n.a.	PMID[37484564]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	4.0	ug.mL-1	PMID[36137364]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	250.0	nM	PMID[35293761]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	2700.0	nM	PMID[35293761]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	64.0	ug.mL-1	PMID[36137364]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	20.3	mm	PMID[31810785]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	0.25	ug.mL-1	PMID[36137364]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.05333	ug.mL-1	PMID[35101651]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	16.4	mm	PMID[36325400]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	6.25	ug.mL-1	PMID[36334453]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	9.36	ug.mL-1	PMID[36334453]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	100.0	ug.mL-1	PMID[33878562]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[36334453]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.256	ug.mL-1	PMID[35101651]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	12.5	ug.mL-1	PMID[32971428]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	24.0	mm	PMID[30312931]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	16.0	mm	PMID[35694689]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	16.0	mm	PMID[35694689]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	20.0	mm	PMID[35694689]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	12.5	ug.mL-1	PMID[32971428]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	PMID[33764773]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1300.0	nM	PMID[37871890]
NPT30043	Cell line	Vero	Chlorocebus sabaeus	CC50	n.a.	n.a.	n.a.	PMID[35487101]
NPT1242	Organism	Salmonella typhi	Salmonella enterica subsp. enterica serovar Typhi	IZ	=	27.0	mm	PMID[28927905]
NPT1242	Organism	Salmonella typhi	Salmonella enterica subsp. enterica serovar Typhi	MIC	=	6.25	ug.mL-1	PMID[28927905]
NPT1242	Organism	Salmonella typhi	Salmonella enterica subsp. enterica serovar Typhi	MBC	=	6.25	ug ml-1	PMID[28927905]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MBC99.5	=	8.6	10'-2microM	PMID[30107969]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	43.0	nM	PMID[30107969]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	4.3	10'-2 umol/ml	PMID[30108732]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MBC99.5	=	8.6	10'-2 umol/ml	PMID[30108732]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	4.3	10'-2mmol/ml	PMID[30108976]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MBC	=	8.6	10'-2mmol/ml	PMID[30108976]
NPT720	Organism	Enterobacter aerogenes	Enterobacter aerogenes	IZ	=	22.0	mm	PMID[27476145]
NPT720	Organism	Enterobacter aerogenes	Enterobacter aerogenes	MIC	=	25000.0	nM	PMID[27476145]
NPT2	Others	Unspecified	n.a.	MIC	=	6.25	ug.mL-1	PMID[33039564]
NPT1242	Organism	Salmonella typhi	Salmonella enterica subsp. enterica serovar Typhi	IZ	=	29.1	mm	PMID[32961321]
NPT1242	Organism	Salmonella typhi	Salmonella enterica subsp. enterica serovar Typhi	MIC	=	5300.0	nM	PMID[32961321]
NPT4806	Organism	Campylobacter coli	Campylobacter coli	MIC	=	32.0	ug.mL-1	PMID[32283299]
NPT5779	Organism	Corynebacterium	Corynebacterium	IZ	=	20.0	mm	PMID[34571137]
NPT5779	Organism	Corynebacterium	Corynebacterium	IZ	=	8.0	mm	PMID[34571137]
NPT314	Organism	Bacillus cereus	Bacillus cereus	IZ	=	16.0	mm	PMID[35694689]
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	=	16000.0	nM	PMID[35293761]
NPT29974	Organism	Brucella anthropi	Brucella anthropi	MIC	=	128000.0	nM	PMID[35293761]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	128000.0	nM	PMID[35293761]
NPT3608	Organism	Salmonella enteritidis	Salmonella enterica subsp. enterica serovar Enteritidis	MIC	=	16.0	ug.mL-1	PMID[36137364]
NPT1243	Organism	Shigella sonnei	Shigella sonnei	MIC	=	250.0	nM	PMID[35293761]
NPT29356	Organism	Klebsiella aerogenes	Klebsiella aerogenes	MIC	=	250.0	nM	PMID[35293761]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	2000.0	nM	PMID[34180670]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference
Homo sapiens	n.a.	Tmax	=	0.5	hr	PMID[32916044]
Homo sapiens	n.a.	Cmax	=	43000.0	nM	PMID[32916044]
Homo sapiens	n.a.	F	=	80.0	%	PMID[32916044]
Homo sapiens	Liver	t1/2	n.a.	n.a.	n.a.	PMID[36399878]
Homo sapiens	n.a.	Vdss	=	1.77	L.kg-1	PMID[32916044]
Homo sapiens	n.a.	CL	=	30.0	ml/min	PMID[32916044]
Homo sapiens	n.a.	T1/2	=	5.3	hr	PMID[32916044]
Homo sapiens	n.a.	Drugexcretion	=	39.0	%	PMID[32916044]

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference

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 NPC478574 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	33999
0.1-0.2	15753
0.2-0.3	100
0.3-0.4	0
0.4-0.5	0
0.5-0.6	0
0.6-0.7	0
0.7-0.8	1
0.8-0.85	1
0.85-0.9	0
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC94319
0.9385	High Similarity	NPC478664
0.9385	High Similarity	NPC487063
0.9385	High Similarity	NPC489233
0.8182	Intermediate Similarity	NPC57436
0.7857	Intermediate Similarity	NPC121479

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC478574 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	7943
0.1-0.2	1186
0.2-0.3	16
0.3-0.4	0
0.4-0.5	0
0.5-0.6	0
0.6-0.7	0
0.7-0.8	1
0.8-0.85	1
0.85-0.9	0
0.9-0.95	1
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD4827	Approved
1.0	High Similarity	NPD4828	Phase 4
0.9385	High Similarity	NPD4826	Approved
0.8182	Intermediate Similarity	NPD4833	Phase 4
0.7857	Intermediate Similarity	NPD35	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