NPASS Compound

Natural Product: NPC478668

Natural Product ID	NPC478668
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	GLEVLJDDWXEYCO-UHFFFAOYSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	40634
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000002] Organoheterocyclic compounds [CHEMONTID:0000123] Benzopyrans [CHEMONTID:0003410] 1-benzopyrans

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 36 37 0 0 0 0 0 0 0 0999 V2000 3.3084 -1.9515 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 -0.9889 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9747 -1.3736 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6123 -2.7586 -0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 -0.5072 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3453 0.8098 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 1.6902 0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0417 1.4081 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 -0.0392 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 -0.3552 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 -0.3109 1.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0941 -1.2169 2.1544 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5129 0.4158 1.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 -0.8961 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 1.2097 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0619 2.5765 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 0.3213 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9277 0.7344 -0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 -2.1742 -2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3056 -1.4414 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3711 -2.8715 -0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 -2.7643 -1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -3.4710 -0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 -3.0603 -0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8536 1.5278 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5397 2.7703 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 2.0767 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8713 1.7512 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5359 -1.3935 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 0.3769 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 -0.3758 -1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8185 0.6995 2.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 2.6435 1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 2.8069 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 3.3617 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 0.7695 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 6 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 17 2 1 0 14 5 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 4 23 1 0 4 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 13 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 18 36 1 0 M END

Standard InCHIKey	GLEVLJDDWXEYCO-UHFFFAOYSA-N
Standard InCHI	InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
SMILES	Cc1c(C)c2c(CCC(C)(C(=O)O)O2)c(C)c1O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	250.12	Volume:	258.202 ? Van der Waals volume.
Dense:	0.969	LogP:	2.109 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	1.921 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-2.85 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	1.0	Rigid Bonds:	12.0
TPSA:	66.76 ? Topological Polar Surface Area.	H-Bond Acceptor:	4.0
H-Bond Donor:	2.0	Rings:	2.0
Heavy Atoms:	4.0

MedChem Properties

QED Drug-Likeness Score:	0.803	GASA:	0.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	3.176	Fsp³:	0.5
MCE-18:	52.571 ? 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:	Rejected
Golden Triangle Rule:	Rejected	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.188	Fluc inhibitor:	0.0 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.443 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.154 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.619	Promiscuous compounds:	0.057

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-5.075	MDCK Permeability:	-4.735
Pgp-inhibitor:	0.0	Pgp-substrate:	0.008
PAMPA:	0.995 ? The experimental data for Peff was logarithmically transformed (logPeff). Molecules with log Peff values below 2.0 were classified as low-permeability (Category 0), while those with log Peff values exceeding 2.5 were classified as high-permeability (Category 1).	Human Intestinal Absorption (HIA):	0.0
20% Bioavailability (F20%):	0.008	30% Bioavailability (F30%):	0.0
50% Bioavailability (F50%):	0.009

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.893	MRP1:	1.0
Plasma Protein Binding (PPB):	95.773%	Volume Distribution (VD):	-0.355
Fu:	4.96% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.99
OATP1B3 inhibitor:	0.6	BCRP inhibitor:	0.001
BSEP inhibitor:	0.863

ADMET: Metabolism

CYP1A2-inhibitor:	0.999	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	0.705	CYP2C19-substrate:	0.0
CYP2C9-inhibitor:	0.931	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.001	CYP2D6-substrate:	0.0
CYP3A4-inhibitor:	0.999	CYP3A4-substrate:	0.0
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	0.002
HLM stability:	0.017 ? 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):

2.895

Half-life (T1/2):

1.588

ADMET: Toxicity

hERG Blockers:	0.029	hERG Blockers (10um):	0.128
Human Hepatotoxicity (H-HT):	0.574	Drug-induced Liver Injury (DILI):	0.226
AMES Toxicity:	0.302	Rat Oral Acute Toxicity:	0.406
Maximum Recommended Daily Dose:	0.247	Skin Sensitization:	0.538
Carcinogencity:	0.542	Eye Corrosion:	0.385
Eye Irritation:	0.969	Respiratory Toxicity:	0.841
Drug-induced Neurotoxicity:	0.216	Ototoxicity:	0.529
Hematotoxicity:	0.381	Drug-induced Nephrotoxicity:	0.314
Genotoxicity:	0.185	RPMI-8226 Immunitoxicity:	0.045
A549 Cytotoxicity:	0.018	Hek293 Cytotoxicity:	0.062
BCF:	0.628 ? 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:	3.327 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	4.847 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	4.116 ? 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
NPO24105	Artemisia iwayomogi	Species	Asteraceae	Eukaryota	n.a.	aerial part	n.a.	DOI[10.1002/hlca.201300170.]
NPO40982	Penicillium citrinum F5	Strain	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12027755]
NPO24105	Artemisia iwayomogi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12735688]
NPO11304	Vitis thunbergii	Species	Vitaceae	Eukaryota	Roots	n.a.	n.a.	PMID[15730246]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[16309325]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16562834]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	Seoul, Korea	2000-Jun	PMID[16643034]
NPO16560	Palhinhaea cernua	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16872152]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	fruit	n.a.	n.a.	PMID[18505286]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	fruit	n.a.	n.a.	PMID[19650637]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	flower	n.a.	PMID[21916433]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	fruits	n.a.	n.a.	PMID[23305920]
NPO40800	Bruchidius dorsalis	Species	n.a.	n.a.	Seed-eating larvae	n.a.	n.a.	PMID[23421743]
NPO11992	Cystoseira usneoides	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23458950]
NPO24105	Artemisia iwayomogi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23510022]
NPO40842	Eugenia rigida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[23547843]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	flower buds	n.a.	n.a.	PMID[23558238]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	fruit	n.a.	PMID[24155209]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24959987]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25302569]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27228307]
NPO40842	Eugenia rigida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[27618204]
NPO17083	Atraphaxis frutescens	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28006914]
NPO14041	Dendrobium findlayanum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29338260]
NPO7160	Vateria copallifera	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30040425]
NPO4053	Sageretia theezans	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30106290]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	Roots	n.a.	n.a.	PMID[31150241]
NPO41050	Streptomyces hyaluromycini MB-PO13T	Strain	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[31181919]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31860304]
NPO16560	Palhinhaea cernua	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31994397]
NPO40261	Parasenecio hastatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31994874]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32141747]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32223193]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40800	Bruchidius dorsalis	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[COCONUT]
NPO41050	Streptomyces hyaluromycini MB-PO13T	Strain	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14041	Dendrobium findlayanum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4053	Sageretia theezans	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO24105	Artemisia iwayomogi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40842	Eugenia rigida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16560	Palhinhaea cernua	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17083	Atraphaxis frutescens	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11992	Cystoseira usneoides	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4053	Sageretia theezans	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16560	Palhinhaea cernua	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14041	Dendrobium findlayanum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4053	Sageretia theezans	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4053	Sageretia theezans	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO24105	Artemisia iwayomogi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16560	Palhinhaea cernua	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11304	Vitis thunbergii	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7160	Vateria copallifera	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11992	Cystoseira usneoides	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14041	Dendrobium findlayanum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24105	Artemisia iwayomogi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17083	Atraphaxis frutescens	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4053	Sageretia theezans	Species	Rhamnaceae	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
Inhibition	90
IC50	236
Ki	2
Activity	239
EC50	35
Ratio	15
Ratio IC50	3
ED50	1
Ratio EC50	1
FC	2
GI50	6
Activity_index	1

Activity Type	# Activity
Individual protein	21
Cell line	94
Single protein	3
Others	302
Tissue	21
Organism	30
No target	36
Non-molecular	124

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT183	Individual protein	Arachidonate 5-lipoxygenase	Rattus norvegicus	Inhibition	=	15.0	%	PMID[8071938]
NPT183	Individual protein	Arachidonate 5-lipoxygenase	Rattus norvegicus	Inhibition	=	13.0	%	PMID[8071938]
NPT31	Individual protein	Cyclooxygenase-2	Homo sapiens	IC50	=	13100.0	nM	PMID[15780608]
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	IC50	=	130.0	nM	PMID[17346963]
NPT31	Individual protein	Cyclooxygenase-2	Homo sapiens	IC50	=	150.0	nM	PMID[17346963]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	IC50	=	186400.0	nM	PMID[26503905]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[33831780]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	Inhibition	n.a.	n.a.	%	PMID[34152756]
NPT987	Individual protein	Histamine H3 receptor	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[34274550]
NPT68	Individual protein	Aldose reductase	Rattus norvegicus	Inhibition	=	12.0	%	PMID[12540241]
NPT589	Individual protein	Serum albumin	Bos taurus	Inhibition	=	54.0	%	PMID[12540241]
NPT589	Individual protein	Serum albumin	Bos taurus	Inhibition	=	32.0	%	PMID[12540241]
NPT67	Individual protein	Cholinesterase	Equus caballus	IC50	n.a.	n.a.	n.a.	PMID[33831780]
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	-5.17	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	-2.62	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT967	Individual protein	Xanthine dehydrogenase	Homo sapiens	IC50	>	1000000.0	nM	PMID[17346963]
NPT30107	Single protein	Amyloid-beta A4 protein	Homo sapiens	IC50	n.a.	n.a.	n.a.	PMID[34274550]
NPT29454	Single protein	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	Homo sapiens	Inhibition	=	2.149	%	PMID[38318365]
NPT837	Individual protein	Carboxylesterase	Sus scrofa	IC50	n.a.	n.a.	n.a.	PMID[33831780]
NPT30107	Single protein	Amyloid-beta A4 protein	Homo sapiens	Inhibition	n.a.	n.a.	%	PMID[34274550]
NPT4734	Individual protein	Dehydrogenase/reductase SDR family member 9	Homo sapiens	IC50	>	1000000.0	nM	PMID[17346963]
NPT43	Individual protein	Tyrosinase	Agaricus bisporus	IC50	>	200000.0	nM	PMID[22071299]
NPT439	Individual protein	Butyrylcholinesterase	Homo sapiens	IC50	>	1000000.0	nM	PMID[26503905]
NPT439	Individual protein	Butyrylcholinesterase	Homo sapiens	Inhibition	n.a.	n.a.	%	PMID[34152756]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1461000.0	nM	PMID[9873556]
NPT3926	Cell line	Mixed cortical cells	Rattus norvegicus	Inhibition	=	22.2	%	PMID[16640342]
NPT3926	Cell line	Mixed cortical cells	Rattus norvegicus	Inhibition	=	16.8	%	PMID[16640342]
NPT3926	Cell line	Mixed cortical cells	Rattus norvegicus	Inhibition	=	15.5	%	PMID[16640342]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	1.84	mol	PMID[18164200]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	3600.0	nM	PMID[16562834]
NPT519	Cell line	SH-SY5Y	Homo sapiens	IC50	=	49550.0	nM	PMID[18605718]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	20.0	%	PMID[18950902]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	0.0	%	PMID[19856923]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	57.7	%	PMID[19856923]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	65.1	%	PMID[19856923]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	63.7	%	PMID[19856923]
NPT4564	Cell line	Neurons	n.a.	Activity	=	44.0	%	PMID[20579892]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	0.0	%	PMID[20926162]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	57.7	%	PMID[20926162]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	55.7	%	PMID[20926162]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	64.2	%	PMID[20926162]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	43.2	%	PMID[20926162]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	39.3	%	PMID[20926162]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	52.9	%	PMID[20926162]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	60.3	%	PMID[20926162]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	65.1	%	PMID[21420206]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	57.7	%	PMID[21420206]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	63.7	%	PMID[21420206]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	27.8	%	PMID[21420206]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	44.2	%	PMID[22420827]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	59.1	%	PMID[22420827]
NPT113	Cell line	RAW264.7	Mus musculus	Inhibition	=	33.4	%	PMID[21183258]
NPT113	Cell line	RAW264.7	Mus musculus	Inhibition	=	39.3	%	PMID[21183258]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	0.3	ug.mL-1	DOI[10.1007/s00044-011-9882-z]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	1400.0	nM	PMID[23547843]
NPT681	Cell line	PC-12	Rattus norvegicus	IC50	=	20000.0	nM	PMID[23751098]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	56.1	%	PMID[24858540]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	55.7	%	PMID[24858540]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	22.3	%	PMID[24858540]
NPT681	Cell line	PC-12	Rattus norvegicus	IC50	=	20000.0	nM	PMID[26447940]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	40.0	%	PMID[26068053]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	66.96	%	PMID[26883148]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	73.73	%	PMID[26883148]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	75.2	%	PMID[26883148]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	23.6	%	PMID[27407032]
NPT804	Cell line	HT-22	Mus musculus	Activity	=	24.5	%	PMID[28242549]
NPT804	Cell line	HT-22	Mus musculus	Activity	=	22.9	%	PMID[28242549]
NPT804	Cell line	HT-22	Mus musculus	Activity	=	19.4	%	PMID[28242549]
NPT804	Cell line	HT-22	Mus musculus	Activity	=	56.4	%	PMID[28242549]
NPT804	Cell line	HT-22	Mus musculus	Activity	=	54.1	%	PMID[28242549]
NPT804	Cell line	HT-22	Mus musculus	Activity	=	43.8	%	PMID[28242549]
NPT81	Cell line	A549	Homo sapiens	GI50	>	100000.0	nM	PMID[29129514]
NPT1723	Cell line	HBL-100	Homo sapiens	GI50	>	100000.0	nM	PMID[29129514]
NPT165	Cell line	HeLa	Homo sapiens	GI50	>	100000.0	nM	PMID[29129514]
NPT1577	Cell line	SW1573	Homo sapiens	GI50	>	100000.0	nM	PMID[29129514]
NPT396	Cell line	T47D	Homo sapiens	GI50	>	100000.0	nM	PMID[29129514]
NPT1183	Cell line	WiDr	Homo sapiens	GI50	>	100000.0	nM	PMID[29129514]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	78.38	%	PMID[29635167]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	80.06	%	PMID[29635167]
NPT681	Cell line	PC-12	Rattus norvegicus	Activity	=	101.3	%	PMID[29466774]
NPT804	Cell line	HT-22	Mus musculus	Activity	=	52.0	%	PMID[30106290]
NPT113	Cell line	RAW264.7	Mus musculus	IC50	=	30000.0	nM	PMID[29275229]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	90.0	%	PMID[30772605]
NPT681	Cell line	PC-12	Rattus norvegicus	Activity	=	79.0	%	PMID[30772605]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	3.62	%	PMID[30784884]
NPT65	Cell line	HepG2	Homo sapiens	Activity	=	5.99	%	PMID[30784884]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	78.65	%	PMID[31150241]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	70.15	%	PMID[31932222]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	75.34	%	PMID[31932222]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	78.15	%	PMID[31932222]
NPT681	Cell line	PC-12	Rattus norvegicus	Activity	=	68.8	%	PMID[31865014]
NPT519	Cell line	SH-SY5Y	Homo sapiens	IC50	=	82300.0	nM	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	86.5	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	92.4	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	99.0	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	95.0	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	97.4	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	97.6	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	88.5	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	93.2	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	68.0	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	81.9	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	86.4	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	82.8	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	83.7	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	79.6	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	87.6	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	=	84.6	%	PMID[27541262]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[36269877]
NPT681	Cell line	PC-12	Rattus norvegicus	Activity	=	45.28	%	PMID[36706609]
NPT519	Cell line	SH-SY5Y	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[37487339]
NPT632	Tissue	Brain	Rattus norvegicus	IC50	=	41570.0	nM	PMID[17967537]
NPT587	Tissue	Liver microsome	Rattus norvegicus	IC50	=	71440.0	nM	PMID[26068017]
NPT632	Tissue	Brain	Rattus norvegicus	Inhibition	=	90.1	%	PMID[26227780]
NPT632	Tissue	Brain	Rattus norvegicus	Inhibition	=	71.3	%	PMID[26227780]
NPT632	Tissue	Brain	Rattus norvegicus	Inhibition	=	100.0	%	PMID[27156769]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Activity	=	230.0	n.a.	PMID[27344490]
NPT632	Tissue	Brain	Rattus norvegicus	Inhibition	=	74.1	%	PMID[30858026]
NPT632	Tissue	Brain	Rattus norvegicus	Inhibition	=	36.6	%	PMID[30858026]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	DOI[10.6019/CHEMBL4651402]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	DOI[10.6019/CHEMBL4651402]
NPT632	Tissue	Brain	Rattus norvegicus	Inhibition	=	75.49	%	PMID[33069078]
NPT28833	No target	No relevant target	n.a.	IC50	=	68000.0	nM	PMID[36469853]
NPT28833	No target	No relevant target	n.a.	IC50	=	11000.0	nM	PMID[37615114]
NPT28833	No target	No relevant target	n.a.	Activity	=	46.67	%	PMID[35749671]
NPT28833	No target	No relevant target	n.a.	Activity	=	97.99	%	PMID[35749671]
NPT28833	No target	No relevant target	n.a.	EC50	=	27760.0	nM	PMID[35276424]
NPT28833	No target	No relevant target	n.a.	IC50	=	30600.0	nM	PMID[32731188]
NPT632	Tissue	Brain	Rattus norvegicus	Activity	=	15.51	%	PMID[35749671]
NPT28833	No target	No relevant target	n.a.	EC50	=	50000.0	nM	PMID[35526478]
NPT28833	No target	No relevant target	n.a.	Activity_index	=	1.0	n.a.	PMID[36682173]
NPT28833	No target	No relevant target	n.a.	IC50	=	24500.0	nM	PMID[33662757]
NPT28833	No target	No relevant target	n.a.	Activity	=	1.0	n.a.	PMID[34274550]
NPT632	Tissue	Brain	Rattus norvegicus	Activity	=	3.39	%	PMID[35749671]
NPT632	Tissue	Brain	Rattus norvegicus	Activity	=	31.89	%	PMID[35749671]
NPT28833	No target	No relevant target	n.a.	IC50	=	6120.0	nM	PMID[34371131]
NPT28833	No target	No relevant target	n.a.	IC50	=	249000.0	nM	PMID[35902062]
NPT28833	No target	No relevant target	n.a.	Activity	=	94.43	%	PMID[35749671]
NPT632	Tissue	Brain	Rattus norvegicus	Activity	=	79.19	%	PMID[35749671]
NPT28833	No target	No relevant target	n.a.	IC50	=	20400.0	nM	PMID[33831780]
NPT28833	No target	No relevant target	n.a.	Activity	=	96.0	%	PMID[36848846]
NPT28833	No target	No relevant target	n.a.	Activity	=	1.0	n.a.	PMID[33831780]
NPT28833	No target	No relevant target	n.a.	EC50	=	28000.0	nM	PMID[34695708]
NPT28833	No target	No relevant target	n.a.	Activity	=	1.0	uM	PMID[36325400]
NPT28833	No target	No relevant target	n.a.	IC50	=	19790.0	nM	PMID[36760741]
NPT632	Tissue	Brain	Rattus norvegicus	Activity	=	47.49	%	PMID[35749671]
NPT28833	No target	No relevant target	n.a.	Activity	=	86.32	%	PMID[35749671]
NPT28833	No target	No relevant target	n.a.	Activity	=	2.03	mM	PMID[35526478]
NPT28833	No target	No relevant target	n.a.	Activity	=	1.05	umolequiv/umol	PMID[34152756]
NPT28833	No target	No relevant target	n.a.	Activity	=	94.9	%	PMID[31244145]
NPT28833	No target	No relevant target	n.a.	IC50	=	11700.0	nM	PMID[29280630]
NPT28833	No target	No relevant target	n.a.	IC50	=	10890.0	nM	PMID[36706609]
NPT28833	No target	No relevant target	n.a.	IC50	=	10320.0	nM	PMID[36760741]
NPT28833	No target	No relevant target	n.a.	Activity	=	8.63	%	PMID[35749671]
NPT28833	No target	No relevant target	n.a.	IC50	=	962780.0	nM	PMID[36760741]
NPT28833	No target	No relevant target	n.a.	IC50	=	8600.0	nM	PMID[34152756]
NPT28833	No target	No relevant target	n.a.	IC50	=	25128.0	nM	PMID[37031527]
NPT28833	No target	No relevant target	n.a.	Activity	=	55.54	%	PMID[34116326]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	20.0	%	PMID[9925732]
NPT3927	Organism	Rotifers	Rotifera	Activity	=	13.0	%	PMID[16640342]
NPT3927	Organism	Rotifers	Rotifera	Activity	=	13.1	%	PMID[16640342]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	88.2	%	PMID[17444626]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	14540.0	nM	PMID[17511503]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	73.4	%	PMID[17942306]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	41.93	n.a.	PMID[17967537]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	93500.0	nM	PMID[18267362]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	93500.0	nM	PMID[18395454]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	90.0	%	PMID[17937972]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	4700.0	nM	PMID[9599270]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	101000.0	nM	PMID[12828473]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	11780.0	nM	PMID[18565749]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2830.0	nM	PMID[17067150]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	28400.0	nM	PMID[15730246]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	20.0	%	PMID[18950902]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	88.2	%	PMID[19232783]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	7910.0	nM	PMID[19450986]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	500000.0	nM	PMID[19450986]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	27760.0	nM	PMID[19481947]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	116280.0	nM	PMID[19481947]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	240560.0	nM	PMID[19481947]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	3680.0	nM	PMID[19481947]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	88.0	%	PMID[19781823]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	69200.0	nM	PMID[19674906]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	31800.0	nM	PMID[19674906]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	18000.0	nM	PMID[19674906]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	73.4	%	PMID[19853459]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	62.32	ug.mL-1	PMID[19683932]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	195.11	ug.mL-1	PMID[19683932]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	8.06	ug.mL-1	PMID[19683932]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	58430.0	nM	PMID[19864149]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	32800.0	nM	PMID[20056545]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	4400.0	nM	PMID[20056545]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	93500.0	nM	PMID[20189816]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	58430.0	nM	PMID[20022411]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	73.0	%	PMID[19811914]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	11600.0	nM	PMID[19692149]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	63.0	%	PMID[20434240]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	5.0	%	PMID[20403645]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	3.0	%	PMID[20403645]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	18.0	%	PMID[20403645]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	6.0	%	PMID[20403645]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	550000.0	nM	PMID[20579892]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	16230.0	nM	PMID[20621497]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	99.12	%	PMID[20621497]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	4310.0	nM	PMID[20825224]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	25300.0	nM	PMID[20825224]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	5.2	%	PMID[20965736]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	4.4	%	PMID[20965736]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	11.7	%	PMID[20965736]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	93500.0	nM	PMID[20936791]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	71.0	%	PMID[21047125]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	81.2	%	PMID[20973550]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	48430.0	nM	PMID[21028890]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	94.3	%	PMID[21190861]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	1.0	%	PMID[21190861]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	13200.0	nM	PMID[20968296]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	88.2	%	PMID[21106277]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	73.4	%	PMID[21106277]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	88.0	%	PMID[21106277]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	63.0	%	PMID[21146903]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	50.0	%	PMID[21459003]
NPT1593	Tissue	Liver	Rattus norvegicus	IC50	=	71440.0	nM	PMID[21504847]
NPT1593	Tissue	Liver	Rattus norvegicus	IC50	=	71440.0	nM	PMID[21397369]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	47.6	%	PMID[21665485]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	62.76	%	PMID[21665485]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	88.47	%	PMID[21665485]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	35.0	%	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	70.0	%	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	87.0	%	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	89.0	%	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	92.0	%	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	86.0	%	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	8000.0	nM	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	61320.0	nM	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	0.23	n.a.	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	0.38	n.a.	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	0.56	n.a.	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	0.72	n.a.	PMID[21843909]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	73.0	%	PMID[22000208]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	24800.0	nM	PMID[21702499]
NPT610	Others	Molecular identity unknown	n.a.	IC50	>	300000.0	nM	PMID[22071299]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	73.0	%	PMID[22126405]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	41930.0	nM	DOI[10.1007/s00044-010-9474-3]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	19.0	uM	PMID[23421743]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	27200.0	nM	PMID[23282106]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	1.5	uM	PMID[23510022]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	25900.0	nM	PMID[23458950]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	26300.0	nM	PMID[23357310]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	73.0	%	PMID[23567956]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	18000.0	nM	PMID[23751098]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	31.0	%	PMID[23859213]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	1.0	n.a.	PMID[23859213]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	293.7	uM	PMID[23993673]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	6190.0	nM	PMID[23993673]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	350.0	nM	PMID[23984871]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	692.0	n.a.	PMID[24507926]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	0.337	n.a.	PMID[24507926]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	0.0	n.a.	PMID[24507926]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	43.8	n.a.	PMID[24507926]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	23.8	n.a.	PMID[24507926]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	23670.0	nM	PMID[24508831]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	88.0	%	PMID[24769352]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	53.0	%	PMID[24803365]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	31.0	%	PMID[24803365]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	76.0	%	PMID[24924425]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	50.0	%	PMID[24924425]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	40.0	%	PMID[26068053]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	57.0	%	PMID[27288181]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	10.0	%	PMID[27288181]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	45.0	%	PMID[27288181]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	68.0	%	PMID[27288181]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	20.0	%	PMID[27288181]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	300000.0	nM	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	4.7	%	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	14.5	%	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	8.8	%	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	300000.0	nM	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	200000.0	nM	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	5.0	%	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	0.0	%	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	14.0	%	PMID[27344490]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	37.0	%	PMID[27344490]
NPT1593	Tissue	Liver	Rattus norvegicus	IC50	=	25000.0	nM	PMID[29017787]
NPT1593	Tissue	Liver	Rattus norvegicus	IC50	=	25000.0	nM	PMID[30655954]
NPT27675	Cell line	NRK-52E	Rattus norvegicus	EC50	=	1900.0	nM	PMID[32141747]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	10600.0	nM	PMID[16203143]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	33600.0	nM	PMID[16203143]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	48200.0	nM	PMID[16203143]
NPT1	Others	Radical scavenging activity	n.a.	Activity	=	1.0	uM	PMID[16392814]
NPT1	Others	Radical scavenging activity	n.a.	Activity	=	87.3	nM	PMID[16640342]
NPT1	Others	Radical scavenging activity	n.a.	Activity	=	93.4	nM	PMID[16640342]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	600000.0	nM	PMID[16517160]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	600000.0	nM	PMID[16730980]
NPT1	Others	Radical scavenging activity	n.a.	EC50	=	37610.0	nM	PMID[17511503]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	36270.0	nM	PMID[17967537]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	10100.0	nM	PMID[9599270]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	67780.0	nM	PMID[15270574]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	48.9	nM	PMID[18722771]
NPT1	Others	Radical scavenging activity	n.a.	Activity	=	85.7	%	PMID[18926710]
NPT1	Others	Radical scavenging activity	n.a.	EC50	=	22100.0	nM	PMID[18565749]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	8770.0	nM	PMID[12027755]
NPT1	Others	Radical scavenging activity	n.a.	Inhibition	=	98.0	%	PMID[15730237]
NPT1	Others	Radical scavenging activity	n.a.	Inhibition	=	79.0	%	PMID[15730237]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	33000.0	nM	PMID[19450986]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	9200.0	nM	PMID[19481947]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	25800.0	nM	PMID[19007183]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	27600.0	nM	PMID[19822425]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	34000.0	nM	PMID[19502068]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	21000.0	nM	PMID[19674906]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	10.03	ug.mL-1	PMID[19683932]
NPT1	Others	Radical scavenging activity	n.a.	Activity	=	98.0	%	PMID[20189816]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	22800.0	nM	PMID[19692149]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	16000.0	nM	PMID[20230038]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	15720.0	nM	PMID[20621497]
NPT1	Others	Radical scavenging activity	n.a.	Inhibition	=	99.48	%	PMID[20621497]
NPT1	Others	Radical scavenging activity	n.a.	ED50	=	0.26	uM	PMID[20621497]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	32900.0	nM	PMID[20825224]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	37000.0	nM	PMID[20936791]
NPT1	Others	Radical scavenging activity	n.a.	Ratio	=	0.19	n.a.	PMID[20936791]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	24000.0	nM	PMID[21084196]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	70780.0	nM	PMID[21028890]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	13200.0	nM	PMID[20968296]
NPT1	Others	Radical scavenging activity	n.a.	Inhibition	=	45.8	%	PMID[21665485]
NPT1	Others	Radical scavenging activity	n.a.	Inhibition	=	74.57	%	PMID[21665485]
NPT1	Others	Radical scavenging activity	n.a.	Inhibition	=	95.14	%	PMID[21665485]
NPT1	Others	Radical scavenging activity	n.a.	EC50	=	12.5	ug	PMID[21821414]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	5840.0	nM	PMID[21843909]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	10080.0	nM	PMID[22071299]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	30240.0	nM	PMID[22115618]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	55000.0	nM	PMID[22385675]
NPT1	Others	Radical scavenging activity	n.a.	Activity	=	4.8	uM	DOI[10.1007/s00044-011-9583-7]
NPT1	Others	Radical scavenging activity	n.a.	Activity	=	99.5	%	DOI[10.1007/s00044-011-9583-7]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	36000.0	nM	DOI[10.1007/s00044-010-9474-3]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	25900.0	nM	PMID[23356964]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	33500.0	nM	PMID[23282106]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	30900.0	nM	PMID[23357310]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	30200.0	nM	PMID[23993673]
NPT1	Others	Radical scavenging activity	n.a.	EC50	=	9340.0	nM	PMID[24681984]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	9500.0	nM	PMID[24803365]
NPT19	Organism	Escherichia coli	Escherichia coli	FC	=	1.0	n.a.	PMID[27344490]
NPT631	Tissue	Brain	Mus musculus	Activity	=	29.75	%	PMID[33272781]
NPT631	Tissue	Brain	Mus musculus	Activity	=	99.0	U	PMID[33272781]
NPT2	Others	Unspecified	n.a.	IC50	=	2800.0	nM	PMID[11206462]
NPT2	Others	Unspecified	n.a.	Ki	=	17000.0	M-1 s-1	PMID[11527720]
NPT2	Others	Unspecified	n.a.	Inhibition	=	59.0	%	PMID[15115413]
NPT2	Others	Unspecified	n.a.	Inhibition	=	36.0	%	PMID[15115413]
NPT35	Others	n.a.	n.a.	Ki	=	21877616239.5	nM	PMID[16640342]
NPT35	Others	n.a.	n.a.	IC50	=	40500.0	nM	PMID[17046255]
NPT2	Others	Unspecified	n.a.	IC50	=	600000.0	nM	PMID[15566297]
NPT2	Others	Unspecified	n.a.	Activity	=	73.4	%	PMID[17604175]
NPT2	Others	Unspecified	n.a.	Activity	=	88.2	%	PMID[17604175]
NPT2	Others	Unspecified	n.a.	IC50	=	150000.0	nM	PMID[17346963]
NPT35	Others	n.a.	n.a.	Activity	=	5.62	n.a.	PMID[10757712]
NPT35	Others	n.a.	n.a.	IC50	=	37000.0	nM	PMID[18267362]
NPT35	Others	n.a.	n.a.	Ratio	=	0.26	n.a.	PMID[17937972]
NPT2	Others	Unspecified	n.a.	Activity	=	81.4	%	PMID[15217276]
NPT2	Others	Unspecified	n.a.	Activity	=	55.2	%	PMID[15217276]
NPT35	Others	n.a.	n.a.	Ratio IC50	=	1.0	n.a.	PMID[15270574]
NPT35	Others	n.a.	n.a.	Activity	=	12.1	%	PMID[18517185]
NPT35	Others	n.a.	n.a.	Activity	=	30.24	%	PMID[18517185]
NPT35	Others	n.a.	n.a.	Activity	=	62.44	%	PMID[18517185]
NPT35	Others	n.a.	n.a.	Activity	=	78.25	%	PMID[18517185]
NPT1590	Tissue	Kidney	Rattus norvegicus	IC50	=	29520.0	nM	PMID[17067150]
NPT35	Others	n.a.	n.a.	Inhibition	=	73.0	%	PMID[19150597]
NPT35	Others	n.a.	n.a.	IC50	=	63.0	%	PMID[19581098]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[19939514]
NPT2	Others	Unspecified	n.a.	IC50	=	58430.0	nM	PMID[19913334]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[19853459]
NPT27	Others	Unspecified	n.a.	Activity	=	57.0	%	PMID[20403645]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[20627725]
NPT35	Others	n.a.	n.a.	Activity	=	1.809	/s	PMID[20936791]
NPT35	Others	n.a.	n.a.	IC50	=	63000.0	nM	PMID[21049954]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[21041094]
NPT35	Others	n.a.	n.a.	Activity	=	63.0	%	PMID[21106277]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[21507662]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[21757348]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[22000208]
NPT27	Others	Unspecified	n.a.	IC50	=	300000.0	nM	PMID[22071299]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[22405290]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[22858299]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[22126405]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[32214761]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[23291118]
NPT2	Others	Unspecified	n.a.	Ratio EC50	=	1.0	n.a.	PMID[23458950]
NPT35	Others	n.a.	n.a.	Activity	=	63.0	%	PMID[23567956]
NPT35	Others	n.a.	n.a.	FC	=	3.11	n.a.	PMID[23953190]
NPT625	Tissue	Liver	Mus musculus	IC50	=	183200.0	nM	PMID[23993673]
NPT35	Others	n.a.	n.a.	Ratio	=	214.0	n.a.	PMID[24507926]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[24502897]
NPT35	Others	n.a.	n.a.	IC50	=	55000.0	nM	PMID[24769352]
NPT35	Others	n.a.	n.a.	IC50	=	270000.0	nM	PMID[25462259]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[25456384]
NPT35	Others	n.a.	n.a.	IC50	=	20100.0	nM	PMID[24924425]
NPT35	Others	n.a.	n.a.	Activity	=	33.0	%	PMID[24924425]
NPT35	Others	n.a.	n.a.	Activity	=	69.0	%	PMID[24924425]
NPT35	Others	n.a.	n.a.	Activity	=	22.2	%	PMID[24924425]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	1.0	n.a.	PMID[24928402]
NPT35	Others	n.a.	n.a.	IC50	=	12000.0	nM	PMID[25278230]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[25203780]
NPT35	Others	n.a.	n.a.	IC50	=	2.02	ug.mL-1	PMID[25813159]
NPT35	Others	n.a.	n.a.	IC50	=	14.56	ug.mL-1	PMID[25813159]
NPT35	Others	n.a.	n.a.	IC50	=	47.32	ug.mL-1	PMID[25813159]
NPT35	Others	n.a.	n.a.	IC50	=	35.6	nM	PMID[25656088]
NPT35	Others	n.a.	n.a.	IC50	=	10920.0	nM	PMID[25899334]
NPT35	Others	n.a.	n.a.	IC50	=	8000.0	nM	PMID[25918997]
NPT35	Others	n.a.	n.a.	IC50	=	76730.0	nM	PMID[25918997]
NPT35	Others	n.a.	n.a.	Inhibition	=	12.4	%	PMID[26071636]
NPT35	Others	n.a.	n.a.	Activity	=	0.395	mmolequiv/L	PMID[26071636]
NPT35	Others	n.a.	n.a.	Activity	=	96.7	%	PMID[26227780]
NPT35	Others	n.a.	n.a.	Activity	=	93.3	%	PMID[26227780]
NPT35	Others	n.a.	n.a.	IC50	=	7.74	ug.mL-1	PMID[26344590]
NPT35	Others	n.a.	n.a.	Inhibition	=	85.61	%	PMID[26344590]
NPT35	Others	n.a.	n.a.	IC50	=	18000.0	nM	PMID[26447940]
NPT35	Others	n.a.	n.a.	IC50	=	150000.0	nM	PMID[26447940]
NPT35	Others	n.a.	n.a.	EC50	=	16200.0	nM	PMID[26503905]
NPT35	Others	n.a.	n.a.	IC50	=	20.87	ug.mL-1	PMID[26514744]
NPT35	Others	n.a.	n.a.	Inhibition	=	63.0	%	PMID[26515039]
NPT35	Others	n.a.	n.a.	IC50	=	30800.0	nM	DOI[10.1039/C5MD00018A]
NPT35	Others	n.a.	n.a.	IC50	=	2800.0	nM	DOI[10.1039/C5MD00018A]
NPT35	Others	n.a.	n.a.	IC50	=	3400.0	nM	DOI[10.1039/C5MD00018A]
NPT35	Others	n.a.	n.a.	IC50	=	27350.0	nM	PMID[26588065]
NPT35	Others	n.a.	n.a.	IC50	=	260000.0	nM	PMID[26796952]
NPT35	Others	n.a.	n.a.	IC50	=	22700.0	nM	DOI[10.1039/C5MD00163C]
NPT35	Others	n.a.	n.a.	IC50	=	16800.0	nM	DOI[10.1039/C5MD00163C]
NPT35	Others	n.a.	n.a.	IC50	=	24000.0	nM	PMID[26786694]
NPT35	Others	n.a.	n.a.	IC50	=	9700.0	nM	PMID[26786694]
NPT35	Others	n.a.	n.a.	Inhibition	=	99.2	%	DOI[10.1039/C5MD00274E]
NPT35	Others	n.a.	n.a.	EC50	=	18200.0	nM	PMID[27046230]
NPT35	Others	n.a.	n.a.	IC50	=	13000.0	nM	PMID[26995529]
NPT35	Others	n.a.	n.a.	Inhibition	=	97.0	%	PMID[27156769]
NPT35	Others	n.a.	n.a.	Inhibition	=	91.1	%	PMID[27156769]
NPT35	Others	n.a.	n.a.	Inhibition	=	32.0	%	PMID[27156769]
NPT35	Others	n.a.	n.a.	EC50	=	12000.0	nM	PMID[26859694]
NPT35	Others	n.a.	n.a.	EC50	=	1130000.0	nM	PMID[27100030]
NPT35	Others	n.a.	n.a.	EC50	=	160000.0	nM	PMID[27100030]
NPT35	Others	n.a.	n.a.	EC50	=	240000.0	nM	PMID[27100030]
NPT35	Others	n.a.	n.a.	IC50	=	400000.0	nM	PMID[27100030]
NPT35	Others	n.a.	n.a.	IC50	=	660000.0	nM	PMID[27100030]
NPT35	Others	n.a.	n.a.	IC50	=	20100.0	nM	PMID[27288181]
NPT35	Others	n.a.	n.a.	IC50	=	17700.0	nM	PMID[27288181]
NPT27	Others	Unspecified	n.a.	Activity	=	98.0	%	PMID[27288181]
NPT27	Others	Unspecified	n.a.	Activity	=	95.0	%	PMID[27288181]
NPT35	Others	n.a.	n.a.	EC50	=	20000.0	nM	PMID[27162124]
NPT35	Others	n.a.	n.a.	IC50	=	13300.0	nM	PMID[27162124]
NPT35	Others	n.a.	n.a.	Activity	=	96.2	%	PMID[27267001]
NPT35	Others	n.a.	n.a.	Activity	=	89.6	%	PMID[27267001]
NPT35	Others	n.a.	n.a.	Activity	=	78.2	%	PMID[27267001]
NPT35	Others	n.a.	n.a.	IC50	=	52200.0	nM	PMID[27267003]
NPT35	Others	n.a.	n.a.	IC50	=	4200.0	nM	PMID[27267003]
NPT35	Others	n.a.	n.a.	IC50	=	600000.0	nM	PMID[27712938]
NPT35	Others	n.a.	n.a.	IC50	=	200000.0	nM	PMID[27712938]
NPT35	Others	n.a.	n.a.	IC50	=	300000.0	nM	PMID[27712938]
NPT35	Others	n.a.	n.a.	IC50	=	30200.0	nM	PMID[27765508]
NPT35	Others	n.a.	n.a.	IC50	=	18200.0	nM	PMID[27765508]
NPT35	Others	n.a.	n.a.	Activity	=	51.7	umol/L	PMID[27765508]
NPT35	Others	n.a.	n.a.	Activity	=	96.9	umol/L	PMID[27765508]
NPT35	Others	n.a.	n.a.	Activity	=	184.8	umol/L	PMID[27765508]
NPT35	Others	n.a.	n.a.	Activity	=	171.7	umol/L	PMID[27765508]
NPT35	Others	n.a.	n.a.	Activity	=	1.0	umolequiv/umol	PMID[27451257]
NPT35	Others	n.a.	n.a.	EC50	=	29600.0	nM	PMID[27843113]
NPT35	Others	n.a.	n.a.	Activity	=	23.0	%	PMID[27923619]
NPT35	Others	n.a.	n.a.	Activity	=	26.0	%	PMID[27923619]
NPT35	Others	n.a.	n.a.	Activity	=	90.0	%	PMID[27923619]
NPT35	Others	n.a.	n.a.	Activity	=	85.2	%	PMID[27889456]
NPT35	Others	n.a.	n.a.	Activity	=	62.3	%	PMID[27889456]
NPT35	Others	n.a.	n.a.	Inhibition	=	76.0	%	PMID[27614409]
NPT35	Others	n.a.	n.a.	IC50	=	28200.0	nM	PMID[28006914]
NPT2	Others	Unspecified	n.a.	IC50	>	300000.0	nM	PMID[28006914]
NPT2	Others	Unspecified	n.a.	IC50	=	700000.0	nM	PMID[28006914]
NPT35	Others	n.a.	n.a.	IC50	=	3890.0	nM	PMID[28061347]
NPT35	Others	n.a.	n.a.	Inhibition	=	74.0	%	PMID[28027871]
NPT35	Others	n.a.	n.a.	EC50	=	28270.0	nM	PMID[28189394]
NPT35	Others	n.a.	n.a.	EC50	=	5280.0	nM	PMID[28189394]
NPT35	Others	n.a.	n.a.	Activity	=	99.6	%	PMID[27951490]
NPT35	Others	n.a.	n.a.	Activity	=	96.5	%	PMID[28109789]
NPT35	Others	n.a.	n.a.	Activity	=	92.7	%	PMID[28109789]
NPT35	Others	n.a.	n.a.	Activity	=	89.3	%	PMID[28109789]
NPT35	Others	n.a.	n.a.	EC50	=	16200.0	nM	PMID[28064079]
NPT35	Others	n.a.	n.a.	IC50	=	300.0	ug.mL-1	PMID[28434766]
NPT35	Others	n.a.	n.a.	Activity	=	89.16	%	PMID[28434766]
NPT35	Others	n.a.	n.a.	Activity	=	91.8	%	PMID[28434766]
NPT35	Others	n.a.	n.a.	Activity	=	82.08	%	PMID[28434766]
NPT35	Others	n.a.	n.a.	Activity	=	85.55	%	PMID[28434766]
NPT35	Others	n.a.	n.a.	Activity	=	90.83	%	PMID[28434766]
NPT35	Others	n.a.	n.a.	EC50	=	4860.0	nM	PMID[28282613]
NPT35	Others	n.a.	n.a.	Activity	=	1.0	equiv	PMID[28986116]
NPT35	Others	n.a.	n.a.	IC50	=	21600.0	nM	PMID[28986116]
NPT35	Others	n.a.	n.a.	IC50	=	19800.0	nM	PMID[28578994]
NPT35	Others	n.a.	n.a.	IC50	=	23490.0	nM	PMID[29031070]
NPT35	Others	n.a.	n.a.	EC50	=	1130000.0	nM	PMID[29126727]
NPT35	Others	n.a.	n.a.	EC50	=	160000.0	nM	PMID[29126727]
NPT35	Others	n.a.	n.a.	EC50	=	240000.0	nM	PMID[29126727]
NPT35	Others	n.a.	n.a.	IC50	=	400000.0	nM	PMID[29126727]
NPT35	Others	n.a.	n.a.	IC50	=	660000.0	nM	PMID[29126727]
NPT35	Others	n.a.	n.a.	IC50	=	35930.0	nM	PMID[29223098]
NPT35	Others	n.a.	n.a.	IC50	=	33820.0	nM	PMID[29223098]
NPT35	Others	n.a.	n.a.	Activity	=	70.35	%	PMID[29223098]
NPT35	Others	n.a.	n.a.	Activity	=	69.96	%	PMID[29223098]
NPT35	Others	n.a.	n.a.	Activity	=	95.49	%	PMID[29338260]
NPT35	Others	n.a.	n.a.	IC50	=	18400.0	nM	PMID[30040425]
NPT35	Others	n.a.	n.a.	Ratio	=	31.9	n.a.	PMID[29110988]
NPT35	Others	n.a.	n.a.	Ratio	=	50.0	n.a.	PMID[29110988]
NPT35	Others	n.a.	n.a.	Ratio	=	115.0	n.a.	PMID[29110988]
NPT35	Others	n.a.	n.a.	Ratio	=	28.3	n.a.	PMID[29110988]
NPT35	Others	n.a.	n.a.	Ratio	=	83.9	n.a.	PMID[29110988]
NPT35	Others	n.a.	n.a.	Ratio	=	2360.0	n.a.	PMID[29110988]
NPT35	Others	n.a.	n.a.	IC50	=	24840.0	nM	PMID[28667876]
NPT35	Others	n.a.	n.a.	Activity	=	95.2	%	PMID[29407956]
NPT35	Others	n.a.	n.a.	Activity	=	82.5	%	PMID[29407956]
NPT35	Others	n.a.	n.a.	Activity	=	77.6	%	PMID[29407956]
NPT35	Others	n.a.	n.a.	Activity	=	1.8	equiv	PMID[29407994]
NPT35	Others	n.a.	n.a.	IC50	=	52900.0	nM	PMID[29466774]
NPT35	Others	n.a.	n.a.	IC50	=	3890.0	nM	PMID[30360953]
NPT35	Others	n.a.	n.a.	Inhibition	=	64.0	%	PMID[30015075]
NPT35	Others	n.a.	n.a.	EC50	=	12400.0	nM	PMID[30031971]
NPT35	Others	n.a.	n.a.	IC50	=	22.15	ug.mL-1	PMID[31319263]
NPT35	Others	n.a.	n.a.	IC50	=	25.88	ug.mL-1	PMID[31319263]
NPT2	Others	Unspecified	n.a.	Activity	=	1.0	n.a.	PMID[31082225]
NPT35	Others	n.a.	n.a.	IC50	=	49770.0	nM	PMID[30529634]
NPT35	Others	n.a.	n.a.	Activity	=	1.0	equiv	PMID[30529634]
NPT35	Others	n.a.	n.a.	IC50	=	14290.0	nM	PMID[30772605]
NPT35	Others	n.a.	n.a.	IC50	=	9900.0	nM	PMID[31246452]
NPT35	Others	n.a.	n.a.	IC50	=	36400.0	nM	PMID[31246452]
NPT35	Others	n.a.	n.a.	EC50	=	22900.0	nM	PMID[31419776]
NPT35	Others	n.a.	n.a.	IC50	=	24400.0	nM	PMID[31191867]
NPT35	Others	n.a.	n.a.	Activity	=	100.0	%	PMID[31812794]
NPT35	Others	n.a.	n.a.	Inhibition	=	82.45	%	PMID[30818176]
NPT35	Others	n.a.	n.a.	Inhibition	=	84.51	%	PMID[30818176]
NPT35	Others	n.a.	n.a.	Inhibition	=	94.25	%	PMID[30818176]
NPT35	Others	n.a.	n.a.	IC50	=	31100.0	nM	PMID[30784884]
NPT35	Others	n.a.	n.a.	IC50	=	24500.0	nM	PMID[30784884]
NPT35	Others	n.a.	n.a.	Activity	=	113.0	mV	PMID[30784884]
NPT35	Others	n.a.	n.a.	Activity	=	24.27	%	PMID[31042617]
NPT35	Others	n.a.	n.a.	IC50	=	23490.0	nM	PMID[31042617]
NPT35	Others	n.a.	n.a.	Activity	=	96.5	%	PMID[30858026]
NPT35	Others	n.a.	n.a.	Activity	=	94.7	%	PMID[30858026]
NPT35	Others	n.a.	n.a.	Activity	=	77.9	%	PMID[30858026]
NPT35	Others	n.a.	n.a.	Activity	=	39.3	%	PMID[30858026]
NPT35	Others	n.a.	n.a.	Activity	=	8.2	%	PMID[30858026]
NPT35	Others	n.a.	n.a.	IC50	=	20400.0	nM	PMID[31640885]
NPT35	Others	n.a.	n.a.	Activity	=	73.0	%	PMID[30715875]
NPT35	Others	n.a.	n.a.	Activity	=	88.0	%	PMID[30715875]
NPT35	Others	n.a.	n.a.	Activity	=	91.0	%	PMID[30715875]
NPT35	Others	n.a.	n.a.	Activity	=	1.0	equiv/uM	PMID[30822710]
NPT35	Others	n.a.	n.a.	IC50	=	18.73	ug.mL-1	PMID[32435366]
NPT35	Others	n.a.	n.a.	IC50	=	20.38	ug.mL-1	PMID[32435366]
NPT35	Others	n.a.	n.a.	Activity	=	94.2	%	PMID[32192796]
NPT35	Others	n.a.	n.a.	Activity	=	84.1	%	PMID[32192796]
NPT35	Others	n.a.	n.a.	Activity	=	77.2	%	PMID[32192796]
NPT35	Others	n.a.	n.a.	Activity	=	1.13	U/uM	PMID[33069078]
NPT35	Others	n.a.	n.a.	Inhibition	=	94.62	%	PMID[33069078]
NPT35	Others	n.a.	n.a.	Inhibition	=	82.61	%	PMID[33069078]
NPT35	Others	n.a.	n.a.	Inhibition	=	47.82	%	PMID[33069078]
NPT35	Others	n.a.	n.a.	Inhibition	=	10.17	%	PMID[33069078]
NPT35	Others	n.a.	n.a.	IC50	=	445000.0	nM	PMID[33214834]
NPT35	Others	n.a.	n.a.	IC50	=	289000.0	nM	PMID[33214834]
NPT35	Others	n.a.	n.a.	IC50	=	81000.0	nM	PMID[33214834]
NPT35	Others	n.a.	n.a.	IC50	=	7000.0	nM	PMID[33214834]
NPT35	Others	n.a.	n.a.	EC50	=	16200.0	nM	PMID[32688201]
NPT35	Others	n.a.	n.a.	EC50	=	32480.0	nM	PMID[32738413]
NPT35	Others	n.a.	n.a.	IC50	=	15700.0	nM	PMID[27541262]
NPT35	Others	n.a.	n.a.	EC50	=	13000.0	nM	PMID[32312487]
NPT35	Others	n.a.	n.a.	IC50	=	15700.0	nM	PMID[32706255]
NPT35	Others	n.a.	n.a.	Activity	=	0.39	n.a.	PMID[33272781]
NPT35	Others	n.a.	n.a.	Activity	=	93.5	%	PMID[33272781]
NPT35	Others	n.a.	n.a.	Activity	=	94.33	%	PMID[33272781]
NPT35	Others	n.a.	n.a.	IC50	=	15500.0	nM	PMID[33476932]
NPT35	Others	n.a.	n.a.	IC50	=	13800.0	nM	PMID[33476932]
NPT35	Others	n.a.	n.a.	Activity	=	1.0	equiv	PMID[32932211]
NPT35	Others	n.a.	n.a.	IC50	=	20100.0	nM	PMID[32932211]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	IC50	>	300000.0	nM	PMID[27344490]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	0.0	%	PMID[27344490]
NPT32	Organism	Mus musculus	Mus musculus	Activity	n.a.	n.a.	n.a.	PMID[31244145]
NPT875	Organism	Bos taurus	Bos taurus	IC50	=	25.6	ug	PMID[9925732]
NPT875	Organism	Bos taurus	Bos taurus	IC50	=	5000.0	nM	PMID[8496914]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	>	1.0	ug.mL-1	PMID[2329571]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	24800.0	nM	PMID[11708933]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	45000.0	nM	PMID[11708933]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	28700.0	nM	PMID[10956184]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EC50	=	77800.0	nM	PMID[10956184]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	329610.0	nM	PMID[12182869]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	201840.0	nM	PMID[12182869]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	430530.0	nM	PMID[12182869]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	12000.0	nM	PMID[1992125]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	43000.0	nM	PMID[1447746]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	12000.0	nM	PMID[7636848]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	14000.0	nM	PMID[7636848]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	60000.0	nM	PMID[15896960]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	550000.0	nM	PMID[15896960]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	19000000.0	nM	PMID[15896960]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	10000.0	nM	PMID[15896960]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	25000.0	nM	PMID[15896960]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	165800.0	nM	PMID[15911250]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	IC50	=	18200.0	nM	PMID[15911250]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference

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 NPC478668 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	24647
0.1-0.2	23924
0.2-0.3	1275
0.3-0.4	8
0.4-0.5	3
0.5-0.6	1
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
0.5577	Remote Similarity	NPC320847

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC478668 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	3840
0.1-0.2	5051
0.2-0.3	254
0.3-0.4	3
0.4-0.5	1
0.5-0.6	1
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	Drug ID	Developmental Stage
0.5217	Remote Similarity	NPD1398	Phase 1

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