Structure

Physi-Chem Properties

Molecular Weight:  142.03
Volume:  131.027
LogP:  -0.878
LogD:  -0.069
LogS:  -0.099
# Rotatable Bonds:  1
TPSA:  70.67
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  4

MedChem Properties

QED Drug-Likeness Score:  0.571
Synthetic Accessibility Score:  2.706
Fsp3:  0.167
Lipinski Rule-of-5:  Accepted
Pfizer Rule:  Accepted
GSK Rule:  Accepted
BMS Rule:  0
Golden Triangle Rule:  Rejected
Chelating Alert:  1
PAINS Alert:  0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:  -4.591
MDCK Permeability:  6.402102007996291e-05
Pgp-inhibitor:  0.0
Pgp-substrate:  0.348
Human Intestinal Absorption (HIA):  0.013
20% Bioavailability (F20%):  0.176
30% Bioavailability (F30%):  0.93

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.082
Plasma Protein Binding (PPB):  53.66490936279297%
Volume Distribution (VD):  0.665
Pgp-substrate:  69.76292419433594%

ADMET: Metabolism

CYP1A2-inhibitor:  0.236
CYP1A2-substrate:  0.137
CYP2C19-inhibitor:  0.036
CYP2C19-substrate:  0.064
CYP2C9-inhibitor:  0.012
CYP2C9-substrate:  0.476
CYP2D6-inhibitor:  0.01
CYP2D6-substrate:  0.505
CYP3A4-inhibitor:  0.007
CYP3A4-substrate:  0.128

ADMET: Excretion

Clearance (CL):  9.066
Half-life (T1/2):  0.888

ADMET: Toxicity

hERG Blockers:  0.058
Human Hepatotoxicity (H-HT):  0.11
Drug-inuced Liver Injury (DILI):  0.387
AMES Toxicity:  0.028
Rat Oral Acute Toxicity:  0.2
Maximum Recommended Daily Dose:  0.013
Skin Sensitization:  0.535
Carcinogencity:  0.722
Eye Corrosion:  0.019
Eye Irritation:  0.884
Respiratory Toxicity:  0.165

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs  

  Natural Product: NPC116366

Natural Product ID:  NPC116366
Common Name*:   Kojic Acid
IUPAC Name:   5-hydroxy-2-(hydroxymethyl)pyran-4-one
Synonyms:   5-Hydroxy-2-(hydroxymethyl)-4-pyrone; Kojic acid
Standard InCHIKey:  BEJNERDRQOWKJM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
SMILES:  c1c(CO)occ(c1=O)O
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL287556
PubChem CID:   3840
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000002] Organoheterocyclic compounds
      • [CHEMONTID:0000086] Pyrans
        • [CHEMONTID:0000481] Pyranones and derivatives

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. DOI[10.1002/hlca.19270100148]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11746-997-0093-1]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. root n.a. DOI[10.1016/0031-9422(95)00135-T]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. Wrocław, Poland 2004–2005 DOI[10.1016/J.FOODCHEM.2006.08.014]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. retail stores, supermarkets and market stalls in Forssa and in the Helsinki area 2003–2005 DOI[10.1016/j.jfca.2006.05.007]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0040-4039(01)90945-1]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1021/jf950732o]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[10775096]
NPO19910 Artocarpus gomezianus Species Moraceae Eukaryota n.a. n.a. n.a. PMID[11720533]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[12880321]
NPO24476.1 Phellodendron amurense var. wilsonii Varieties Rutaceae Eukaryota Leaves n.a. n.a. PMID[14510598]
NPO9445 Crocus sativus Species Iridaceae Eukaryota Petals n.a. n.a. PMID[15043425]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. root n.a. PMID[1622242]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[16659156]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[16668466]
NPO23987 Marrubium cylleneum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[17287127]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO32569 artocarpus rigida Species Moraceae Eukaryota n.a. n.a. n.a. PMID[20384315]
NPO1072 Aspergillus oryzae Species Aspergillaceae Eukaryota n.a. n.a. n.a. PMID[20797856]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[20963508]
NPO1072 Aspergillus oryzae Species Aspergillaceae Eukaryota n.a. n.a. n.a. PMID[22026385]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[22537213]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. bark n.a. PMID[22708987]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[22708987]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota Wood n.a. n.a. PMID[23113717]
NPO1072 Aspergillus oryzae Species Aspergillaceae Eukaryota n.a. n.a. n.a. PMID[24116376]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[24338885]
NPO7635 Glycine max Species Fabaceae Eukaryota Seeds Tekirdag, Turkey PMID[24499198]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. PMID[24704449]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25053043]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25070365]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. seed n.a. PMID[25369450]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25369450]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[2614422]
NPO40378 Thalassotalea sp. PP2-459 Strain Colwelliaceae Bacteria n.a. n.a. n.a. PMID[26824128]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. PMID[26967731]
NPO23736 Myrsine africana Species Primulaceae Eukaryota root n.a. n.a. PMID[2778455]
NPO17083 Atraphaxis frutescens Species Polygonaceae Eukaryota n.a. n.a. n.a. PMID[28006914]
NPO40626 Streptomyces sp. KIB-H1289 Strain Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[28990780]
NPO32569 artocarpus rigida Species Moraceae Eukaryota Stems n.a. n.a. PMID[29227656]
NPO23736 Myrsine africana Species Primulaceae Eukaryota n.a. n.a. n.a. PMID[29300477]
NPO40284 Phaeosphaeria fuckelii Species Phaeosphaeriaceae Eukaryota n.a. n.a. n.a. PMID[32342692]
NPO40638 Penicillium sp. RO-11 Strain Aspergillaceae Eukaryota n.a. n.a. n.a. PMID[33296194]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. formosan n.a. PMID[8864236]
NPO23736 Myrsine africana Species Primulaceae Eukaryota n.a. fruit n.a. Database[Article]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO9445 Crocus sativus Species Iridaceae Eukaryota Silk Stigma Style n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Testa n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Cotyledon n.a. n.a. Database[FooDB]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Hypocotyl n.a. n.a. Database[FooDB]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota Latex Exudate n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Oil n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23736 Myrsine africana Species Primulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24476.1 Phellodendron amurense var. wilsonii Varieties Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. seed n.a. Database[MetaboLights]
NPO7635 Glycine max Species Fabaceae Eukaryota Seeds n.a. Database[Phenol-Explorer]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23736 Myrsine africana Species Primulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24476.1 Phellodendron amurense var. wilsonii Varieties Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO1072 Aspergillus oryzae Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17083 Atraphaxis frutescens Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23987 Marrubium cylleneum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23736 Myrsine africana Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19910 Artocarpus gomezianus Species Moraceae 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 NP ID 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

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16300.0 nM PMID[472800]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 12000.0 nM PMID[472802]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 80.02 % PMID[472803]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 53.87 % PMID[472803]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 38240.0 nM PMID[472806]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16670.0 nM PMID[472807]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 23000.0 nM PMID[472808]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 75000.0 nM PMID[472809]
NPT319 Cell Line B16 Mus musculus Inhibition = 54.3 % PMID[472809]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 27000.0 nM PMID[472810]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 243000.0 nM PMID[472811]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 9500.0 nM PMID[472812]
NPT169 Cell Line B16-F10 Mus musculus Inhibition = 15.8 % PMID[472813]
NPT169 Cell Line B16-F10 Mus musculus Inhibition = 31.1 % PMID[472813]
NPT169 Cell Line B16-F10 Mus musculus Activity = 79.9 % PMID[472813]
NPT169 Cell Line B16-F10 Mus musculus Activity = 79.1 % PMID[472813]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 32300.0 nM PMID[472813]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 250000.0 nM PMID[472815]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 59.8 % PMID[472815]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 40.2 % PMID[472815]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 19.5 % PMID[472815]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 200000.0 nM PMID[472818]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 7400.0 nM PMID[472819]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 235000.0 nM PMID[472820]
NPT319 Cell Line B16 Mus musculus Activity = 99.0 % PMID[472821]
NPT319 Cell Line B16 Mus musculus IC50 = 111000.0 nM PMID[472821]
NPT2739 Individual Protein Tyrosinase Mus musculus Activity = 55.0 % PMID[472821]
NPT2739 Individual Protein Tyrosinase Mus musculus IC50 = 61000.0 nM PMID[472821]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 36.0 % PMID[472821]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 438350.0 nM PMID[472822]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 225140.0 nM PMID[472822]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 132830.0 nM PMID[472822]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 176000.0 nM PMID[472824]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 294000.0 nM PMID[472824]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 18.3 % PMID[472825]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 722000.0 nM PMID[472825]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 582700.0 nM PMID[472825]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 8.0 % PMID[472825]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 5.4 % PMID[472827]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 46.2 % PMID[472827]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 76.0 % PMID[472827]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 86.8 % PMID[472827]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 92.5 % PMID[472827]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 33000.0 nM PMID[472827]
NPT319 Cell Line B16 Mus musculus IC50 = 70000.0 nM PMID[472828]
NPT319 Cell Line B16 Mus musculus IC50 = 70000.0 nM PMID[472829]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 22.3 % PMID[472830]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 50.6 % PMID[472830]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 78.2 % PMID[472830]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 89.3 % PMID[472830]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 94.0 % PMID[472830]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 30000.0 nM PMID[472830]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 250000.0 nM PMID[472830]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 140000.0 nM PMID[472831]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16300.0 nM PMID[472832]
NPT319 Cell Line B16 Mus musculus IC50 > 50000.0 nM PMID[472832]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 9180.0 nM PMID[472833]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 22300.0 nM PMID[472834]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 69400.0 nM PMID[472835]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 38240.0 nM PMID[472836]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 8330.0 nM PMID[472839]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 87380.0 nM PMID[472840]
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 89410.0 nM PMID[472840]
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 100000.0 nM PMID[472840]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 53700.0 nM PMID[472841]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 47.8 % PMID[472842]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 74.1 % PMID[472842]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 12000.0 nM PMID[472842]
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 25118.9 nM PMID[472843]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 61.0 % PMID[472844]
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus Inhibition = -4.0 % PMID[472844]
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Inhibition = 33.0 % PMID[472844]
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Inhibition = 62.0 % PMID[472844]
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens Inhibition = 52.0 % PMID[472844]
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens Inhibition = 84.0 % PMID[472844]
NPT569 Individual Protein Matrix metalloproteinase 8 Homo sapiens Inhibition = 51.0 % PMID[472844]
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Inhibition = 49.0 % PMID[472844]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 20990.0 nM PMID[472845]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 10200.0 nM PMID[472846]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 50.8 % PMID[472847]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = -0.98 % PMID[472847]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 9.29 % PMID[472847]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 30.75 % PMID[472847]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 18450.0 nM PMID[472847]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 51400.0 nM PMID[472849]
NPT319 Cell Line B16 Mus musculus IC50 = 70000.0 nM PMID[472850]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 370000.0 nM PMID[472851]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 102000.0 nM PMID[472852]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 30.0 % PMID[472853]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 70400.0 nM PMID[472853]
NPT319 Cell Line B16 Mus musculus Inhibition = 54.0 % PMID[472853]
NPT319 Cell Line B16 Mus musculus IC50 = 15800.0 nM PMID[472853]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 69390.0 nM PMID[472854]
NPT319 Cell Line B16 Mus musculus IC50 = 70000.0 nM PMID[472855]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 32620.0 nM PMID[472856]
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency n.a. 16136.6 nM PMID[472857]
NPT319 Cell Line B16 Mus musculus Activity = 100.0 % PMID[472858]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 48520.0 nM PMID[472859]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 32000.0 nM PMID[472858]
NPT319 Cell Line B16 Mus musculus IC50 = 500000.0 nM PMID[472858]
NPT319 Cell Line B16 Mus musculus IC50 = 5.5 ug.mL-1 PMID[472860]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 65080.0 nM PMID[472861]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 187200.0 nM PMID[472861]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 40.98 % PMID[472862]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 24720.0 nM PMID[472862]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16220.0 nM PMID[472863]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 15420.0 nM PMID[472863]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 16.1 % PMID[472863]
NPT169 Cell Line B16-F10 Mus musculus Activity = 80.0 % PMID[472863]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 128640.0 nM PMID[472864]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 18570.0 nM PMID[472864]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 30000.0 nM PMID[472864]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 20000.0 nM PMID[472864]
NPT169 Cell Line B16-F10 Mus musculus IC50 = 84540.0 nM PMID[472866]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 9960.0 nM PMID[472867]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 96.9 % PMID[472867]
NPT2933 Individual Protein Aldehyde oxidase Oryctolagus cuniculus IC50 = 757000.0 nM PMID[472868]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 93000.0 nM PMID[472868]
NPT165 Cell Line HeLa Homo sapiens Activity = 3.57 % PMID[472869]
NPT165 Cell Line HeLa Homo sapiens Activity = 2.16 % PMID[472869]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 18300.0 nM PMID[472871]
NPT169 Cell Line B16-F10 Mus musculus Activity = 81.04 % PMID[472872]
NPT169 Cell Line B16-F10 Mus musculus Inhibition = 17.2 % PMID[472872]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16670.0 nM PMID[472872]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 14860.0 nM PMID[472873]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 22500.0 nM PMID[472873]
NPT319 Cell Line B16 Mus musculus IC50 = 39000.0 nM PMID[472874]
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens IC50 = 2000.0 nM PMID[472875]
NPT2587 Individual Protein D-amino-acid oxidase Sus scrofa Ki = 21000.0 nM PMID[472875]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 53950.0 nM PMID[472876]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 48.15 % PMID[472876]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 37.73 % PMID[472876]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 12.71 % PMID[472876]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 12.81 % PMID[472876]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 5.44 % PMID[472876]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 46600.0 nM PMID[472878]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 9150.0 nM PMID[472879]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 37300.0 nM PMID[472880]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 12300.0 nM PMID[472880]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 47.45 % PMID[472881]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 20990.0 nM PMID[472881]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 7.97 % PMID[472881]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 27.36 % PMID[472881]
NPT2739 Individual Protein Tyrosinase Mus musculus Ki = 5500000.0 nM PMID[472884]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 18250.0 nM PMID[472885]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 10.0 % PMID[472887]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 71.0 % PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 60.0 % PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 12600.0 nM PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 42.0 % PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 32800.0 nM PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 35.0 % PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 49.0 % PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 65.0 % PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 20.0 % PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 32.0 % PMID[472888]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 53700.0 nM PMID[472889]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 68.18 % PMID[472890]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 55.69 % PMID[472890]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 85.79 % PMID[472890]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 10.16 ug.mL-1 PMID[472890]
NPT169 Cell Line B16-F10 Mus musculus Inhibition = 79.0 % PMID[472891]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 > 30000.0 nM PMID[472892]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 28000.0 nM PMID[472894]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 8890.0 nM PMID[472895]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 27300.0 nM PMID[472895]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 28500.0 nM PMID[472896]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 37.0 % PMID[472898]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 10000.0 nM PMID[472898]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16690.0 nM PMID[472899]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 47.2 % PMID[472900]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 23720.0 nM PMID[472900]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 11200.0 nM PMID[472900]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16010.0 nM PMID[472902]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 16.9 % PMID[472902]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 23600.0 nM PMID[472903]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 27500.0 nM PMID[472904]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 45.2 % PMID[472904]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 12200.0 nM PMID[472904]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 39.35 % PMID[472905]
NPT319 Cell Line B16 Mus musculus LD50 > 500.0 uM PMID[472906]
NPT319 Cell Line B16 Mus musculus IC50 > 500000.0 nM PMID[472906]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 26500.0 nM PMID[472906]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 13200.0 nM PMID[472906]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 49300.0 nM PMID[472907]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 36360.0 nM PMID[472908]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 88.5 % PMID[472909]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 33300.0 nM PMID[472909]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 46000.0 nM PMID[472910]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 12500.0 nM PMID[472911]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 20000.0 nM PMID[472917]
NPT319 Cell Line B16 Mus musculus MNCC = 5000.0 uM PMID[472919]
NPT2739 Individual Protein Tyrosinase Mus musculus IC50 = 2000000.0 nM PMID[472919]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 45.4 % PMID[472919]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 21.6 % PMID[472919]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 28.6 % PMID[472919]
NPT319 Cell Line B16 Mus musculus IC50 = 57000.0 nM PMID[472921]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16840.0 nM PMID[472923]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 28200.0 nM PMID[472924]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 70.1 % PMID[472925]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 10000.0 nM PMID[472927]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16051.0 nM PMID[472928]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 17760.0 nM PMID[472930]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 58.44 % PMID[472931]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 37860.0 nM PMID[472931]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 32200.0 nM PMID[472932]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 18.81 % PMID[472933]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 36.67 % PMID[472933]
NPT169 Cell Line B16-F10 Mus musculus Inhibition = 37.63 % PMID[472933]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 12420.0 nM PMID[472934]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16840.0 nM PMID[472935]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 21800.0 nM PMID[472936]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 10680.0 nM PMID[472937]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 21.39 % PMID[472938]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 39.97 % PMID[472938]
NPT169 Cell Line B16-F10 Mus musculus Activity = 44.26 % PMID[472938]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 16700.0 nM PMID[472939]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 72270.0 nM PMID[472940]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 17760.0 nM PMID[472941]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 30000.0 nM PMID[472942]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Ki = 20000.0 nM PMID[472942]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 129600.0 nM PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus IC50 = 89700.0 nM PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 7.3 % PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 56.6 % PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 21.63 % PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 28.63 % PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 37.62 % PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 44.62 % PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 44.93 % PMID[472943]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 45.4 % PMID[472943]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 21.55 % PMID[472944]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 71.74 % PMID[472945]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 19080.0 nM PMID[472945]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 21.56 % PMID[472946]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 49.39 % PMID[472946]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 38.52 % PMID[472946]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 37100.0 nM PMID[472947]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 15300.0 nM PMID[472947]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 57.22 % PMID[472948]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 53700.0 nM PMID[472948]
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 76.5 % PMID[472949]
NPT1346 Individual Protein Polymerase acidic protein Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 = 12300.0 nM PMID[472950]
NPT1346 Individual Protein Polymerase acidic protein Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 = 12589.25 nM PMID[472950]
NPT1346 Individual Protein Polymerase acidic protein Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Inhibition > 50.0 % PMID[472950]
NPT1346 Individual Protein Polymerase acidic protein Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Inhibition > 80.0 % PMID[472950]
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 45000.0 nM PMID[472951]
NPT2349 Cell Line HMV-2 cell line Activity = 45.9 % PMID[472954]
NPT2739 Individual Protein Tyrosinase Mus musculus Activity = 94.24 % PMID[472963]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 35.0 % PMID[472964]
NPT2739 Individual Protein Tyrosinase Mus musculus Inhibition = 65.0 % PMID[472964]
NPT2 Others Unspecified Potency n.a. 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 10682.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 133.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 595.6 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1580000.0 nM PMID[472792]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 22940.0 nM PMID[472793]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Cell survival = 91.75 % PMID[472793]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Cell survival = 92.36 % PMID[472793]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Cell survival = 86.92 % PMID[472793]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 22940.0 nM PMID[472795]
NPT29 Organism Rattus norvegicus Rattus norvegicus Control period = 0.31 n.a. PMID[472796]
NPT29 Organism Rattus norvegicus Rattus norvegicus Treatment period = 0.28 n.a. PMID[472796]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 280000.0 nM PMID[472797]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 16670.0 nM PMID[472798]
NPT741 Individual Protein Tyrosinase Homo sapiens Inhibition = 20.0 % PMID[472799]
NPT741 Individual Protein Tyrosinase Homo sapiens Inhibition = 41.1 % PMID[472801]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 133400.0 nM PMID[472801]
NPT32 Organism Mus musculus Mus musculus LD50 = 1400.0 mg.kg-1 PMID[472804]
NPT32 Organism Mus musculus Mus musculus Survival = 63.0 % PMID[472804]
NPT32 Organism Mus musculus Mus musculus Survival = 28.0 % PMID[472804]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus -logMIC = 3.59 n.a. PMID[472814]
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa -logMIC = 3.89 n.a. PMID[472814]
NPT20 Organism Candida albicans Candida albicans -logMIC = 3.89 n.a. PMID[472814]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 125000.0 nM PMID[472816]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 125000.0 nM PMID[472817]
NPT741 Individual Protein Tyrosinase Homo sapiens Activity = 52.0 % PMID[472821]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 66550.0 nM PMID[472823]
NPT664 Protein Family Histone deacetylase Homo sapiens Activity = 100.0 % PMID[472826]
NPT1414 Organism Drosophila Drosophila Activity = 25.0 % PMID[472837]
NPT1414 Organism Drosophila Drosophila Activity = 73.06 % PMID[472837]
NPT2 Others Unspecified IC50 = 6200.0 nM PMID[472838]
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens Inhibition = 59.0 % PMID[472844]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 7400.0 nM PMID[472848]
NPT1 Others Radical scavenging activity IC50 = 1450000.0 nM PMID[472854]
NPT610 Others Molecular identity unknown IC50 = 1600000.0 nM PMID[472854]
NPT27 Others Unspecified IC50 = 3500000.0 nM PMID[472854]
NPT610 Others Molecular identity unknown IC50 = 1460.0 nM PMID[472859]
NPT27 Others Unspecified Survival = 98.2 % PMID[472859]
NPT610 Others Molecular identity unknown IC50 = 1640000.0 nM PMID[472861]
NPT27 Others Unspecified IC50 = 3530000.0 nM PMID[472861]
NPT2 Others Unspecified IC50 = 44600.0 nM PMID[472865]
NPT2 Others Unspecified IC50 > 1000000.0 nM PMID[472868]
NPT2 Others Unspecified INH = 90.0 ug PMID[472870]
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 79.88 % PMID[472877]
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 80.38 % PMID[472877]
NPT35 Others n.a. pKa = 7.95 n.a. PMID[472882]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Inhibition = 56.9 % PMID[472883]
NPT115 Organism Mycobacterium tuberculosis H37Ra Mycobacterium tuberculosis H37Ra MIC > 100.0 ug.mL-1 PMID[472886]
NPT2 Others Unspecified Ratio IC50 = 10.64 n.a. PMID[472889]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 571170.0 nM PMID[472889]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 500000.0 nM PMID[472892]
NPT2 Others Unspecified AC50 n.a. 707.9 nM PMID[472897]
NPT2 Others Unspecified Ac50 n.a. 0.7079 uM PMID[472897]
NPT2 Others Unspecified Ac50 n.a. 8.913 uM PMID[472897]
NPT2 Others Unspecified AC50 n.a. 8912.5 nM PMID[472897]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 9150.0 nM PMID[472901]
NPT27 Others Unspecified Activity = 80.0 % PMID[472902]
NPT35 Others n.a. Activity = 82.64 % PMID[472911]
NPT35 Others n.a. Activity = 74.35 % PMID[472911]
NPT35 Others n.a. Activity = 90.1 % PMID[472911]
NPT35 Others n.a. Activity = 80.08 % PMID[472911]
NPT2 Others Unspecified Inhibition = 66.5 % PMID[472912]
NPT2 Others Unspecified Inhibition = 78.2 % PMID[472912]
NPT2 Others Unspecified Inhibition = 46.4 % PMID[472912]
NPT2 Others Unspecified Inhibition = 96.8 % PMID[472912]
NPT2 Others Unspecified IC50 = 43600.0 nM PMID[472912]
NPT2 Others Unspecified Inhibition = 50.6 % PMID[472912]
NPT2 Others Unspecified Inhibition = 89.3 % PMID[472912]
NPT2 Others Unspecified IC50 = 29600.0 nM PMID[472912]
NPT2 Others Unspecified Inhibition = 12.2 % PMID[472912]
NPT2 Others Unspecified Inhibition = 22.3 % PMID[472912]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 > 80000000.0 nM PMID[472913]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 15000000.0 nM PMID[472913]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 2800000.0 nM PMID[472913]
NPT741 Individual Protein Tyrosinase Homo sapiens Ki = 350000.0 nM PMID[472913]
NPT2 Others Unspecified IC50 = 26000.0 nM PMID[472914]
NPT2 Others Unspecified IC50 = 17760.0 nM PMID[472914]
NPT25054 SINGLE PROTEIN Polyphenol oxidase 1 Agaricus bisporus IC50 = 15000.0 nM PMID[472915]
NPT35 Others n.a. IC50 > 200000.0 nM PMID[472916]
NPT2 Others Unspecified IC50 > 300000.0 nM PMID[472916]
NPT2 Others Unspecified IC50 = 88000.0 nM PMID[472916]
NPT2 Others Unspecified IC50 = 48520.0 nM PMID[472917]
NPT2 Others Unspecified IC50 = 17900.0 nM PMID[472918]
NPT2 Others Unspecified IC50 = 4930.0 nM PMID[472919]
NPT2 Others Unspecified Inhibition = 93.51 % PMID[472920]
NPT2 Others Unspecified IC50 = 6040.0 nM PMID[472920]
NPT2 Others Unspecified IC50 = 15910.0 nM PMID[472922]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 44600.0 nM PMID[472926]
NPT617 Organism Danio rerio Danio rerio Activity = 0.0 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 100.0 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 98.33 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 86.67 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 35.0 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 1.67 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 13.33 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 65.0 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 3.33 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 31.67 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 5.0 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 96.67 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 83.33 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 81.67 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 10.0 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 6.67 % PMID[472929]
NPT617 Organism Danio rerio Danio rerio Activity = 78.33 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Inhibition = 119.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Inhibition = 120.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Inhibition = 26.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Inhibition = 38.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Inhibition = 79.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Inhibition = 89.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Activity = 113.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Activity = 116.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Activity = 40.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Activity = 47.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Activity = 82.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio Activity = 88.0 % PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio IC50 = 10850000.0 nM PMID[472929]
NPT23875 SINGLE PROTEIN Tyrosinase Danio rerio IC50 = 14250000.0 nM PMID[472929]
NPT25055 SINGLE PROTEIN Tyrosinase Bacillus megaterium IC50 = 52000.0 nM PMID[472930]
NPT2 Others Unspecified Inhibition = 50.3 % PMID[472944]
NPT2 Others Unspecified Inhibition = 38.98 % PMID[472944]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 26800.0 nM PMID[472948]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 20000.0 nM PMID[472948]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 500000.0 nM PMID[472948]
NPT2 Others Unspecified Ratio IC50 = 11.0 n.a. PMID[472948]
NPT2 Others Unspecified IC50 = 14070.0 nM PMID[472952]
NPT2 Others Unspecified IC50 = 31100.0 nM PMID[472953]
NPT2 Others Unspecified IC50 = 12800.0 nM PMID[472955]
NPT2 Others Unspecified IC50 = 107000.0 nM PMID[472955]
NPT20972 CELL-LINE SU.86.86 Homo sapiens Activity > 20.0 % PMID[472956]
NPT2 Others Unspecified IC50 = 40400.0 nM PMID[472957]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 IC50 > 20000.0 nM PMID[472958]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 IC50 > 19952.62 nM PMID[472958]
NPT741 Individual Protein Tyrosinase Homo sapiens Km = 87000.0 nM PMID[472959]
NPT741 Individual Protein Tyrosinase Homo sapiens Km = 83000.0 nM PMID[472959]
NPT741 Individual Protein Tyrosinase Homo sapiens Km = 77000.0 nM PMID[472959]
NPT741 Individual Protein Tyrosinase Homo sapiens Km = 69000.0 nM PMID[472959]
NPT741 Individual Protein Tyrosinase Homo sapiens Vmax = 0.0019 /min PMID[472959]
NPT741 Individual Protein Tyrosinase Homo sapiens Vmax = 0.0025 /min PMID[472959]
NPT741 Individual Protein Tyrosinase Homo sapiens Vmax = 0.003 /min PMID[472959]
NPT741 Individual Protein Tyrosinase Homo sapiens Vmax = 0.0038 /min PMID[472959]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 12810.0 nM PMID[472959]
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 2.9 ug.mL-1 PMID[472960]
NPT2 Others Unspecified MIC = 3.5 ug.mL-1 PMID[472960]
NPT4085 Organism Bacillus licheniformis Bacillus licheniformis MIC = 14.8 ug.mL-1 PMID[472960]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 9.5 ug.mL-1 PMID[472960]
NPT5772 Organism Enterobacter hormaechei Enterobacter hormaechei MIC = 1.6 ug.mL-1 PMID[472960]
NPT2 Others Unspecified IC50 = 40000.0 nM PMID[472961]
NPT2 Others Unspecified IC50 = 1.79 ug.mL-1 PMID[472962]
NPT2 Others Unspecified IC50 = 9300.0 nM PMID[472963]
NPT2 Others Unspecified IC50 = 41280.0 nM PMID[472964]
NPT2 Others Unspecified IC50 = 18570.0 nM PMID[472964]
NPT2 Others Unspecified IC50 = 26600.0 nM PMID[472965]
NPT2 Others Unspecified Ki = 4300.0 nM PMID[472966]
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 500000.0 nM PMID[472966]
NPT2 Others Unspecified IC50 = 6000.0 nM PMID[472966]
NPT2 Others Unspecified Inhibition = 98.75 % PMID[472967]

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

  Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC116366 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8333 Intermediate Similarity NPC135537
0.7843 Intermediate Similarity NPC158853
0.72 Intermediate Similarity NPC2741
0.7091 Intermediate Similarity NPC313553
0.7049 Intermediate Similarity NPC302564
0.6923 Remote Similarity NPC475675
0.6923 Remote Similarity NPC475555
0.6833 Remote Similarity NPC51846
0.6769 Remote Similarity NPC273600
0.6667 Remote Similarity NPC201356
0.6667 Remote Similarity NPC106547
0.6545 Remote Similarity NPC110396
0.6515 Remote Similarity NPC96414
0.6452 Remote Similarity NPC319423
0.6364 Remote Similarity NPC471611
0.6364 Remote Similarity NPC75134
0.6349 Remote Similarity NPC187770
0.6301 Remote Similarity NPC470705
0.629 Remote Similarity NPC230296
0.6286 Remote Similarity NPC202011
0.6271 Remote Similarity NPC22329
0.6269 Remote Similarity NPC101670
0.6269 Remote Similarity NPC19769
0.6269 Remote Similarity NPC7940
0.6212 Remote Similarity NPC475073
0.6154 Remote Similarity NPC98519
0.6143 Remote Similarity NPC475982
0.6102 Remote Similarity NPC220191
0.6087 Remote Similarity NPC122627
0.6 Remote Similarity NPC200772
0.6 Remote Similarity NPC272267
0.6 Remote Similarity NPC473536
0.597 Remote Similarity NPC2328
0.5942 Remote Similarity NPC276299
0.5942 Remote Similarity NPC472072
0.5938 Remote Similarity NPC268185
0.5938 Remote Similarity NPC71755
0.5909 Remote Similarity NPC130953
0.5902 Remote Similarity NPC137396
0.5897 Remote Similarity NPC159714
0.5897 Remote Similarity NPC221510
0.589 Remote Similarity NPC316851
0.5882 Remote Similarity NPC470808
0.5882 Remote Similarity NPC475221
0.5873 Remote Similarity NPC317548
0.5857 Remote Similarity NPC132286
0.5857 Remote Similarity NPC251429
0.5844 Remote Similarity NPC291260
0.5833 Remote Similarity NPC107848
0.5833 Remote Similarity NPC59558
0.5833 Remote Similarity NPC107703
0.5833 Remote Similarity NPC275316
0.5806 Remote Similarity NPC327103
0.5806 Remote Similarity NPC474805
0.5797 Remote Similarity NPC476586
0.5797 Remote Similarity NPC470123
0.5781 Remote Similarity NPC150717
0.5775 Remote Similarity NPC63873
0.5775 Remote Similarity NPC238223
0.5775 Remote Similarity NPC309466
0.5758 Remote Similarity NPC97570
0.5735 Remote Similarity NPC476584
0.5733 Remote Similarity NPC478191
0.5733 Remote Similarity NPC478196
0.5733 Remote Similarity NPC315552
0.5733 Remote Similarity NPC478195
0.5733 Remote Similarity NPC478192
0.5733 Remote Similarity NPC478194
0.5733 Remote Similarity NPC478193
0.5714 Remote Similarity NPC218486
0.5714 Remote Similarity NPC318481
0.5714 Remote Similarity NPC189677
0.5714 Remote Similarity NPC317796
0.5714 Remote Similarity NPC248775
0.5714 Remote Similarity NPC129710
0.5714 Remote Similarity NPC28049
0.5694 Remote Similarity NPC130618
0.5692 Remote Similarity NPC135863
0.5679 Remote Similarity NPC469809
0.5672 Remote Similarity NPC26223
0.5667 Remote Similarity NPC122212
0.5667 Remote Similarity NPC137419
0.5667 Remote Similarity NPC267110
0.5667 Remote Similarity NPC477778
0.5658 Remote Similarity NPC203277
0.5645 Remote Similarity NPC229046
0.5645 Remote Similarity NPC46565
0.5641 Remote Similarity NPC470148
0.5641 Remote Similarity NPC180725
0.5641 Remote Similarity NPC470149
0.5636 Remote Similarity NPC8270
0.5634 Remote Similarity NPC473752
0.5625 Remote Similarity NPC317899
0.5625 Remote Similarity NPC253364
0.5625 Remote Similarity NPC471239
0.561 Remote Similarity NPC77971
0.5606 Remote Similarity NPC223679
0.5606 Remote Similarity NPC189700
0.56 Remote Similarity NPC474545

  Chemically structural similarity: II. Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC116366 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7843 Intermediate Similarity NPD9090 Phase 3
0.7255 Intermediate Similarity NPD9091 Suspended
0.7255 Intermediate Similarity NPD9297 Discontinued
0.6452 Remote Similarity NPD9118 Approved
0.6349 Remote Similarity NPD69 Approved
0.6349 Remote Similarity NPD9119 Approved
0.575 Remote Similarity NPD6110 Phase 1
0.5606 Remote Similarity NPD585 Clinical (unspecified phase)

  Bioactivity similarity: Similar Natural Products in NPASS

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