Natural Product: NPC116366

Natural Product IDNPC116366
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
 Kojic Acid
IUPAC Name 5-hydroxy-2-(hydroxymethyl)pyran-4-one
Synonyms 5-Hydroxy-2-(hydroxymethyl)-4-pyrone; Kojic acid
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

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

  Chemical Representations

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

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   142.03 Volume:   131.027
?
Van der Waals volume.
Dense:   1.084 LogP:   -0.565
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   -0.468
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
 LogS:   0.07
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   1.0 Rigid Bonds:   7.0
TPSA:   70.67
?
Topological Polar Surface Area.
 H-Bond Acceptor:   4.0
H-Bond Donor:   2.0 Rings:   1.0
Heavy Atoms:   4.0

MedChem Properties

QED Drug-Likeness Score:   0.571 GASA:   0.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   2.706 Fsp3:   0.167
MCE-18:   6.0
?
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:   Accepted BMS Rule:   0
Chelating Alert:   1 PAINS Alert:   0
Colloidal aggregators:   0.205 Fluc inhibitor:   0.0
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.152
?
The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1
 Green fluorescence:   0.0
?
The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:   0.975 Promiscuous compounds:   0.41

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -4.86 MDCK Permeability:   -4.613
Pgp-inhibitor:   0.023 Pgp-substrate:   0.092
PAMPA:   0.719
?
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):   0.342
20% Bioavailability (F20%):   0.367 30% Bioavailability (F30%):   0.892
50% Bioavailability (F50%):   0.888

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.055 MRP1:   0.558
Plasma Protein Binding (PPB):   23.332% Volume Distribution (VD):   -0.1
Fu: 77.024%
?
The fraction unbound in plasms.
 OATP1B1 inhibitor:   0.676
OATP1B3 inhibitor:   0.976 BCRP inhibitor:   0.437
BSEP inhibitor:   0.215

ADMET: Metabolism

CYP1A2-inhibitor:   0.009 CYP1A2-substrate:   0.001
CYP2C19-inhibitor:   0.0 CYP2C19-substrate:   0.0
CYP2C9-inhibitor:   0.158 CYP2C9-substrate:   0.001
CYP2D6-inhibitor:   0.433 CYP2D6-substrate:   0.001
CYP3A4-inhibitor:   0.001 CYP3A4-substrate:   0.042
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   0.052
HLM stability:   0.013
?
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):  11.409 Half-life (T1/2):  1.827

ADMET: Toxicity

hERG Blockers:  0.046 hERG Blockers (10um):  0.29
Human Hepatotoxicity (H-HT):  0.399 Drug-induced Liver Injury (DILI):  0.346
AMES Toxicity:  0.636 Rat Oral Acute Toxicity:  0.456
Maximum Recommended Daily Dose:  0.546 Skin Sensitization:  0.323
Carcinogencity:  0.74 Eye Corrosion:  0.613
Eye Irritation:  0.989 Respiratory Toxicity:  0.731
Drug-induced Neurotoxicity:  0.212 Ototoxicity:  0.156
Hematotoxicity:  0.243 Drug-induced Nephrotoxicity:  0.163
Genotoxicity:  0.968 RPMI-8226 Immunitoxicity:  0.073
A549 Cytotoxicity:  0.062 Hek293 Cytotoxicity:  0.23
BCF:   0.399
?
Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].
 IGC50:   2.342
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   3.491
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
 LC50FM:   2.824
?
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
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]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0021-9258(18)90865-3]
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[10.1016/S0168-9452(02)00136-X]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0168-9452(02)00136-X]
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. DOI[10.1023/A:1024390522259]
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. n.a. n.a. PMID[25369450]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. seed 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]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[37111302]
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]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17083 Atraphaxis frutescens Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO40626 Streptomyces sp. KIB-H1289 Strain Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO1072 Aspergillus oryzae Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23736 Myrsine africana Species Primulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24476.1 Phellodendron amurense var. wilsonii Varieties Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19910 Artocarpus gomezianus Species Moraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO40284 Phaeosphaeria fuckelii Species Phaeosphaeriaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO40378 Thalassotalea sp. PP2-459 Strain Colwelliaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Cotyledon 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]
NPO7635 Glycine max Species Fabaceae Eukaryota Oil n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Pericarp 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]
NPO9445 Crocus sativus Species Iridaceae Eukaryota n.a. n.a. Database[FooDB]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota n.a. n.a. Database[FooDB]
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota 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 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]
NPO24476.1 Phellodendron amurense var. wilsonii Varieties Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22796 Cyperus rotundus Species Cyperaceae 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. seed n.a. Database[MetaboLights]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. 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]
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]
NPO22796 Cyperus rotundus Species Cyperaceae 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]
NPO23736 Myrsine africana Species Primulaceae 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[TCM_Taiwan]
NPO9445 Crocus sativus Species Iridaceae 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]
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]
NPO22796 Cyperus rotundus Species Cyperaceae 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]
NPO19910 Artocarpus gomezianus Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23736 Myrsine africana Species Primulaceae 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]
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23987 Marrubium cylleneum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
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]
NPO9445 Crocus sativus Species Iridaceae 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

Molecular-level activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2739 Individual protein Tyrosinase Mus musculus Activity = 55.0 % PMID[19524439]
NPT2739 Individual protein Tyrosinase Mus musculus IC50 = 61000.0 nM PMID[19524439]
NPT270 Individual protein Nitric oxide synthase, inducible Mus musculus Inhibition = -4.0 % PMID[21189019]
NPT150 Individual protein Anthrax lethal factor Bacillus anthracis Inhibition = 33.0 % PMID[21189019]
NPT280 Individual protein Matrix metalloproteinase 9 Homo sapiens Inhibition = 49.0 % PMID[21189019]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 16.1 % PMID[22901670]
NPT2933 Individual protein Aldehyde oxidase Oryctolagus cuniculus IC50 = 757000.0 nM PMID[21476569]
NPT2587 Individual protein D-amino-acid oxidase Sus scrofa Ki = 21000.0 nM PMID[23683589]
NPT2739 Individual protein Tyrosinase Mus musculus Ki = 5500000.0 nM PMID[24933607]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 10.0 % PMID[25126713]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 16.9 % PMID[26462055]
NPT2739 Individual protein Tyrosinase Mus musculus IC50 = 2000000.0 nM PMID[28268138]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 45.4 % PMID[28268138]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 21.6 % PMID[28268138]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 28.6 % PMID[28268138]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 36.67 % PMID[30366788]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 39.97 % PMID[30347330]
NPT2739 Individual protein Tyrosinase Mus musculus IC50 = 89700.0 nM PMID[31272835]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 7.3 % PMID[31272835]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 56.6 % PMID[31272835]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 21.63 % PMID[31272835]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 28.63 % PMID[31272835]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 37.62 % PMID[31272835]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 44.62 % PMID[31272835]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 44.93 % PMID[31272835]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 49.39 % PMID[31027707]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 38.52 % PMID[31027707]
NPT1346 Individual protein Polymerase acidic protein Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 = 12300.0 nM PMID[27291165]
NPT1346 Individual protein Polymerase acidic protein Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 = 12589.25 nM PMID[27291165]
NPT1346 Individual protein Polymerase acidic protein Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Inhibition > 50.0 % PMID[27291165]
NPT1346 Individual protein Polymerase acidic protein Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Inhibition > 80.0 % PMID[27291165]
NPT2739 Individual protein Tyrosinase Mus musculus Activity = 94.24 % PMID[33640246]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 35.0 % PMID[27647371]
NPT2739 Individual protein Tyrosinase Mus musculus Inhibition = 65.0 % PMID[27647371]
NPT2739 Individual protein Tyrosinase Mus musculus IC50 = 108000.0 nM PMID[36634457]
NPT645 Individual protein D-amino-acid oxidase Homo sapiens IC50 = 2000.0 nM PMID[23683589]
NPT72 Individual protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 80.38 % PMID[23571415]
NPT23875 Single protein Tyrosinase Danio rerio Inhibition = 119.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Inhibition = 120.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Inhibition = 26.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Inhibition = 38.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Inhibition = 79.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Inhibition = 89.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Activity = 113.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Activity = 116.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Activity = 40.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Activity = 47.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Activity = 82.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio Activity = 88.0 % PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio IC50 = 10850000.0 nM PMID[29042224]
NPT23875 Single protein Tyrosinase Danio rerio IC50 = 14250000.0 nM PMID[29042224]
NPT48 Individual protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT567 Individual protein Matrix metalloproteinase 3 Homo sapiens Inhibition = 62.0 % PMID[21189019]
NPT69 Individual protein Matrix metalloproteinase-1 Homo sapiens Inhibition = 59.0 % PMID[21189019]
NPT73 Individual protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 79.88 % PMID[23571415]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 22940.0 nM DOI[10.1016/0960-894X(96)00221-1]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 280000.0 nM PMID[12824045]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 16670.0 nM PMID[16275084]
NPT741 Individual protein Tyrosinase Homo sapiens Inhibition = 20.0 % PMID[16442796]
NPT741 Individual protein Tyrosinase Homo sapiens Inhibition = 41.1 % PMID[16919455]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 133400.0 nM PMID[16919455]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 125000.0 nM PMID[12880321]
NPT741 Individual protein Tyrosinase Homo sapiens Activity = 52.0 % PMID[19524439]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 66550.0 nM PMID[19359068]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 7400.0 nM PMID[21334791]
NPT445 Individual protein Peripheral myelin protein 22 Rattus norvegicus Potency n.a. 16136.6 nM PubChem BioAssay data set
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 571170.0 nM PMID[25288494]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 9150.0 nM PMID[26386819]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 15000000.0 nM PMID[28105275]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 2800000.0 nM PMID[28105275]
NPT741 Individual protein Tyrosinase Homo sapiens Ki = 350000.0 nM PMID[28105275]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 44600.0 nM PMID[29227656]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 26800.0 nM PMID[29763564]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 20000.0 nM PMID[29763564]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 500000.0 nM PMID[32787103]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 12810.0 nM PMID[33242700]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 > 100000.0 nM PMID[36462443]
NPT741 Individual protein Tyrosinase Homo sapiens Ki = 730000.0 nM PMID[36634457]
NPT29010 Single protein Tyrosinase Streptomyces antibioticus Ki = 109000.0 nM PMID[36634457]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 80.0 ug.mL-1 PMID[31810785]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 3.49 ug.mL-1 PMID[35395370]
NPT741 Individual protein Tyrosinase Homo sapiens Ki = 350000.0 nM PMID[36462443]
NPT741 Individual protein Tyrosinase Homo sapiens Ki = 350000.0 nM PMID[36634457]
NPT30107 Single protein Amyloid-beta A4 protein Homo sapiens Inhibition = 14.55 % PMID[36846369]
NPT29454 Single protein Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 Homo sapiens Inhibition = 7.621 % PMID[38318365]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 400000.0 nM PMID[35717871]
NPT30107 Single protein Amyloid-beta A4 protein Homo sapiens IC50 n.a. n.a. n.a. PMID[36846369]
NPT741 Individual protein Tyrosinase Homo sapiens IC50 = 260.0 ug.mL-1 PMID[31810785]
NPT741 Individual protein Tyrosinase Homo sapiens Ki = 1100000.0 nM PMID[36462443]
NPT741 Individual protein Tyrosinase Homo sapiens Kcat = 5.8 /s PMID[36462443]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16300.0 nM PMID[20149498]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 12000.0 nM PMID[21041086]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 80.02 % PMID[17287127]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 53.87 % PMID[17287127]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 38240.0 nM PMID[20619644]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16670.0 nM PMID[23411395]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 23000.0 nM PMID[18326070]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 75000.0 nM PMID[18501598]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 27000.0 nM PMID[11720533]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 243000.0 nM PMID[18357995]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 9500.0 nM PMID[19054671]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 32300.0 nM PMID[19022667]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 250000.0 nM PMID[20189399]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 59.8 % PMID[15043425]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 40.2 % PMID[15043425]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 19.5 % PMID[15043425]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 200000.0 nM PMID[18505286]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 7400.0 nM PMID[18782667]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 235000.0 nM PMID[12398542]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 36.0 % PMID[19524439]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 438350.0 nM PMID[19481947]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 225140.0 nM PMID[19481947]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 132830.0 nM PMID[19481947]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 176000.0 nM PMID[18986201]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 294000.0 nM PMID[18986201]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 18.3 % PMID[19700313]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 722000.0 nM PMID[19700313]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ki = 582700.0 nM PMID[19700313]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 8.0 % PMID[19700313]
NPT664 Protein family Histone deacetylase Homo sapiens Activity = 100.0 % PMID[19520580]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 5.4 % PMID[19615910]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 46.2 % PMID[19615910]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 76.0 % PMID[19615910]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 86.8 % PMID[19615910]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 92.5 % PMID[19615910]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 33000.0 nM PMID[19615910]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 22.3 % PMID[20189399]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 50.6 % PMID[20189399]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 78.2 % PMID[20189399]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 89.3 % PMID[20189399]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 94.0 % PMID[20189399]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 30000.0 nM PMID[25597012]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 140000.0 nM PMID[19555125]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 9180.0 nM PMID[20493688]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ki = 22300.0 nM PMID[20452224]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 69400.0 nM PMID[20584613]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 8330.0 nM PMID[20813526]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 87380.0 nM PMID[20934336]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 53700.0 nM PMID[25288494]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 47.8 % PMID[21041086]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 74.1 % PMID[21041086]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 61.0 % PMID[21189019]
NPT568 Individual protein Matrix metalloproteinase-2 Homo sapiens Inhibition = 52.0 % PMID[21189019]
NPT570 Individual protein Arachidonate 5-lipoxygenase Homo sapiens Inhibition = 84.0 % PMID[21189019]
NPT569 Individual protein Matrix metalloproteinase 8 Homo sapiens Inhibition = 51.0 % PMID[21189019]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 20990.0 nM DOI[10.1039/C0MD00234H]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 10200.0 nM PMID[21226489]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 50.8 % PMID[21397499]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = -0.98 % PMID[21397499]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 9.29 % PMID[21397499]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 30.75 % PMID[21397499]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 18450.0 nM PMID[21397499]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 51400.0 nM PMID[21377874]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 370000.0 nM PMID[21500777]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 102000.0 nM PMID[21777998]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 30.0 % PMID[21978680]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 70400.0 nM PMID[21978680]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 69390.0 nM PMID[22071299]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 32620.0 nM PMID[22165973]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 48520.0 nM PMID[22330633]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 32000.0 nM PMID[22300660]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 65080.0 nM PMID[22579419]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 187200.0 nM PMID[22579419]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 40.98 % PMID[22301213]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 24720.0 nM PMID[22301213]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16220.0 nM PMID[22901670]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 15420.0 nM PMID[22901670]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 128640.0 nM PMID[21561780]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 18570.0 nM PMID[21561780]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ki = 30000.0 nM PMID[21561780]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ki = 20000.0 nM PMID[21561780]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 9960.0 nM PMID[22835872]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 96.9 % PMID[22835872]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 93000.0 nM PMID[21476569]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 18300.0 nM PMID[23391365]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ki = 14860.0 nM PMID[23566759]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 22500.0 nM PMID[23566759]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 53950.0 nM PMID[23743286]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 48.15 % PMID[23743286]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 37.73 % PMID[23743286]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 12.71 % PMID[23743286]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 12.81 % PMID[23743286]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 5.44 % PMID[23743286]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 46600.0 nM PMID[24268551]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 9150.0 nM PMID[24332496]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 37300.0 nM PMID[24412339]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 12300.0 nM PMID[24412339]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 47.45 % DOI[10.1039/C0MD00234H]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 7.97 % DOI[10.1039/C0MD00234H]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 27.36 % DOI[10.1039/C0MD00234H]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 18250.0 nM PMID[24857777]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 71.0 % PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 60.0 % PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 12600.0 nM PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 42.0 % PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 32800.0 nM PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 35.0 % PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 49.0 % PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 65.0 % PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 20.0 % PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 32.0 % PMID[24972725]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 68.18 % PMID[25218909]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 55.69 % PMID[25218909]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 85.79 % PMID[25218909]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 10.16 ug.mL-1 PMID[25218909]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 > 30000.0 nM PMID[25597012]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 28000.0 nM PMID[25661448]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ki = 8890.0 nM PMID[25782744]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 27300.0 nM PMID[25782744]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 28500.0 nM PMID[25686594]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 37.0 % PMID[25987378]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 10000.0 nM PMID[25987378]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16690.0 nM PMID[26204890]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 47.2 % PMID[26318997]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 23720.0 nM PMID[26318997]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 11200.0 nM PMID[26318997]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16010.0 nM PMID[26462055]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 23600.0 nM PMID[26471089]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 27500.0 nM PMID[26526213]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 45.2 % PMID[26526213]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ki = 12200.0 nM PMID[26526213]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 39.35 % PMID[26631438]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 26500.0 nM PMID[26706112]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 13200.0 nM PMID[26706112]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 49300.0 nM PMID[26754613]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 36360.0 nM PMID[26786496]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 88.5 % PMID[26972919]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 33300.0 nM PMID[26972919]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 46000.0 nM PMID[26824128]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 12500.0 nM PMID[27185329]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 20000.0 nM PMID[28011217]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16840.0 nM PMID[30017112]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 28200.0 nM PMID[28865277]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 70.1 % PMID[28990780]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16051.0 nM PMID[29040952]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 17760.0 nM PMID[31202126]
NPT25055 Single protein Tyrosinase Bacillus megaterium IC50 = 52000.0 nM PMID[29634898]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 58.44 % PMID[29907470]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 37860.0 nM PMID[29907470]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 32200.0 nM PMID[30108974]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 18.81 % PMID[30366788]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 12420.0 nM PMID[28760313]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 21800.0 nM PMID[30446314]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 10680.0 nM PMID[30470492]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 21.39 % PMID[30347330]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16700.0 nM PMID[31732410]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 72270.0 nM PMID[31082763]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 129600.0 nM PMID[31272835]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 21.55 % PMID[31345746]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 71.74 % PMID[31000406]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 19080.0 nM PMID[31000406]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 21.56 % PMID[31027707]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 37100.0 nM PMID[30871862]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 15300.0 nM PMID[30871862]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 57.22 % PMID[29763564]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 76.5 % PMID[26967731]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 45000.0 nM PMID[30907079]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 22250.0 nM PMID[34365131]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 1.79 ug.mL-1 PMID[34365131]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16832.0 nM PMID[34365131]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 16832.0 nM PMID[34058664]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 29000.0 nM PMID[34365131]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ki = 4430.0 nM PMID[34365131]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 33470.0 nM PMID[34365131]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 20970.0 nM PMID[34023737]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 19970.0 nM PMID[34365131]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 17550.0 nM PMID[34365131]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 10930.0 nM PMID[34365131]
NPT25055 Single protein Tyrosinase Bacillus megaterium Kd = 377000.0 nM PMID[34628235]
NPT43 Individual protein Tyrosinase Agaricus bisporus Inhibition = 85.0 % PMID[35694689]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 9280.0 nM PMID[32652434]

In vitro activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT319 Cell line B16 Mus musculus Inhibition = 54.3 % PMID[18501598]
NPT169 Cell line B16-F10 Mus musculus Inhibition = 15.8 % PMID[19022667]
NPT169 Cell line B16-F10 Mus musculus Inhibition = 31.1 % PMID[19022667]
NPT169 Cell line B16-F10 Mus musculus Activity = 79.9 % PMID[19022667]
NPT169 Cell line B16-F10 Mus musculus Activity = 79.1 % PMID[19022667]
NPT319 Cell line B16 Mus musculus Activity = 99.0 % PMID[19524439]
NPT319 Cell line B16 Mus musculus IC50 = 111000.0 nM PMID[19524439]
NPT319 Cell line B16 Mus musculus IC50 = 70000.0 nM PMID[22217872]
NPT319 Cell line B16 Mus musculus IC50 > 50000.0 nM PMID[20149498]
NPT113 Cell line RAW264.7 Mus musculus IC50 = 89410.0 nM PMID[20934336]
NPT113 Cell line RAW264.7 Mus musculus IC50 > 100000.0 nM PMID[20934336]
NPT319 Cell line B16 Mus musculus Inhibition = 54.0 % PMID[21978680]
NPT319 Cell line B16 Mus musculus IC50 = 15800.0 nM PMID[21978680]
NPT319 Cell line B16 Mus musculus Activity = 100.0 % PMID[22300660]
NPT319 Cell line B16 Mus musculus IC50 = 500000.0 nM PMID[26706112]
NPT319 Cell line B16 Mus musculus IC50 = 5.5 ug.mL-1 PMID[22450129]
NPT169 Cell line B16-F10 Mus musculus Activity = 80.0 % PMID[22901670]
NPT169 Cell line B16-F10 Mus musculus IC50 = 84540.0 nM PMID[23063404]
NPT165 Cell line HeLa Homo sapiens Activity = 3.57 % DOI[10.1007/s00044-012-0094-y]
NPT165 Cell line HeLa Homo sapiens Activity = 2.16 % DOI[10.1007/s00044-012-0094-y]
NPT169 Cell line B16-F10 Mus musculus Activity = 81.04 % PMID[23411395]
NPT169 Cell line B16-F10 Mus musculus Inhibition = 17.2 % PMID[23411395]
NPT319 Cell line B16 Mus musculus IC50 = 39000.0 nM PMID[23623417]
NPT169 Cell line B16-F10 Mus musculus Inhibition = 79.0 % PMID[25440886]
NPT319 Cell line B16 Mus musculus IC50 > 500000.0 nM PMID[26706112]
NPT319 Cell line B16 Mus musculus MNCC = 5000.0 uM PMID[28268138]
NPT319 Cell line B16 Mus musculus IC50 = 57000.0 nM PMID[28619537]
NPT169 Cell line B16-F10 Mus musculus Inhibition = 37.63 % PMID[30366788]
NPT169 Cell line B16-F10 Mus musculus Activity = 44.26 % PMID[30347330]
NPT169 Cell line B16-F10 Mus musculus Inhibition = 94.0 % PMID[35717871]
NPT1083 Cell line A-375 Homo sapiens Activity = 98.0 % PMID[35114540]
NPT1083 Cell line A-375 Homo sapiens GI50 > 100000.0 nM PMID[35114540]
NPT804 Cell line HT-22 Mus musculus IC50 > 500000.0 nM PMID[36846369]
NPT169 Cell line B16-F10 Mus musculus IC50 = 144400.0 nM PMID[32652434]
NPT1083 Cell line A-375 Homo sapiens Inhibition n.a. n.a. % PMID[34628235]
NPT1635 Cell line H9c2 Rattus norvegicus IC50 > 500000.0 nM PMID[36846369]
NPT169 Cell line B16-F10 Mus musculus Activity n.a. n.a. n.a. PMID[32652434]
NPT519 Cell line SH-SY5Y Homo sapiens IC50 > 500000.0 nM PMID[36846369]
NPT169 Cell line B16-F10 Mus musculus Activity n.a. n.a. n.a. PMID[35290062]
NPT859 Cell line HFF Homo sapiens IC50 > 150000.0 nM PMID[32652434]
NPT34 Cell line BV-2 Mus musculus IC50 > 500000.0 nM PMID[36846369]
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1580000.0 nM PMID[7608896]
NPT115 Organism Mycobacterium tuberculosis H37Ra Mycobacterium tuberculosis H37Ra MIC > 100.0 ug.mL-1 PMID[25462220]
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]
NPT4085 Organism Bacillus licheniformis Bacillus licheniformis MIC = 14.8 ug.mL-1 PMID[33296194]
NPT28438 Unchecked Unchecked n.a. Ki = 102000.0 nM PMID[36634457]
NPT28438 Unchecked Unchecked n.a. IC50 = 17760.0 nM PMID[35114540]
NPT28438 Unchecked Unchecked n.a. IC50 = 48700.0 nM PMID[36940414]
NPT28438 Unchecked Unchecked n.a. IC50 = 29700.0 nM PMID[36940414]
NPT28833 No target No relevant target n.a. Activity = 17.79 % PMID[36846369]
NPT28438 Unchecked Unchecked n.a. Inhibition = 14.3 % PMID[34023737]
NPT28833 No target No relevant target n.a. Activity = 28.2 % PMID[36940414]
NPT28438 Unchecked Unchecked n.a. Inhibition n.a. n.a. % PMID[36095944]
NPT28833 No target No relevant target n.a. Activity = 46.76 % PMID[36846369]
NPT28438 Unchecked Unchecked n.a. Inhibition = 16.36 % PMID[34023737]
NPT28438 Unchecked Unchecked n.a. IC50 = 5620.0 nM PMID[36095944]
NPT28438 Unchecked Unchecked n.a. Ki = 4300.0 nM PMID[36462443]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. Cell survival = 91.75 % PMID[15125944]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. Cell survival = 92.36 % PMID[15125944]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. Cell survival = 86.92 % PMID[15125944]
NPT20 Organism Candida albicans Candida albicans -logMIC = 3.89 n.a. PMID[19056147]
NPT610 Others Molecular identity unknown n.a. IC50 = 1600000.0 nM PMID[22071299]
NPT610 Others Molecular identity unknown n.a. IC50 = 1460.0 nM PMID[22330633]
NPT610 Others Molecular identity unknown n.a. IC50 = 1640000.0 nM PMID[22579419]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. Inhibition = 56.9 % PMID[24703463]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. IC50 = 500000.0 nM PMID[25597012]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. IC50 > 80000000.0 nM PMID[28105275]
NPT5772 Organism Enterobacter hormaechei Enterobacter hormaechei MIC = 1.6 ug.mL-1 PMID[33296194]
NPT617 Organism Danio rerio Danio rerio Inhibition n.a. n.a. % PMID[34628235]
NPT617 Organism Danio rerio Danio rerio Activity n.a. n.a. n.a. PMID[34628235]
NPT617 Organism Danio rerio Danio rerio Activity = 80.0 % PMID[35114540]
NPT617 Organism Danio rerio Danio rerio Activity = 20.0 % PMID[35114540]
NPT617 Organism Danio rerio Danio rerio Activity = 0.0 % PMID[35114540]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus -logMIC = 3.59 n.a. PMID[19056147]
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa -logMIC = 3.89 n.a. PMID[19056147]
NPT1414 Organism Drosophila Drosophila Activity = 25.0 % PMID[18327252]
NPT1414 Organism Drosophila Drosophila Activity = 73.06 % PMID[18327252]
NPT1 Others Radical scavenging activity n.a. IC50 = 1450000.0 nM PMID[22071299]
NPT20972 Cell line SU.86.86 Homo sapiens Activity > 20.0 % PMID[31980363]
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 2.9 ug.mL-1 PMID[33296194]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 9.5 ug.mL-1 PMID[33296194]
NPT21742 Cell line L02 Homo sapiens IC50 > 500000.0 nM PMID[36846369]
NPT28620 Cell line MNT-1 Homo sapiens IC50 = 15000000.0 nM PMID[36462443]
NPT28620 Cell line MNT-1 Homo sapiens CC50 = 34000000.0 nM PMID[36462443]
NPT2 Others Unspecified n.a. Potency n.a. 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. Potency n.a. 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. Potency n.a. 10682.2 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. Potency n.a. 133.3 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. Potency n.a. 595.6 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. IC50 = 6200.0 nM PMID[20615711]
NPT2 Others Unspecified n.a. IC50 = 44600.0 nM PMID[23113717]
NPT2 Others Unspecified n.a. IC50 > 1000000.0 nM PMID[21476569]
NPT2 Others Unspecified n.a. Ratio IC50 = 10.64 n.a. PMID[25288494]
NPT2 Others Unspecified n.a. AC50 n.a. 707.9 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. AC50 n.a. 8912.5 nM PubChem BioAssay data set

In vivo activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Survival = 63.0 % PMID[17049858]
NPT32 Organism Mus musculus Mus musculus Survival = 28.0 % PMID[17049858]
NPT617 Organism Danio rerio Danio rerio Activity = 0.0 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 100.0 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 98.33 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 86.67 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 35.0 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 1.67 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 13.33 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 65.0 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 3.33 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 31.67 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 5.0 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 96.67 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 83.33 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 81.67 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 10.0 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 6.67 % PMID[29042224]
NPT617 Organism Danio rerio Danio rerio Activity = 78.33 % PMID[29042224]
NPT29 Organism Rattus norvegicus Rattus norvegicus Control period = 0.31 n.a. PMID[8289206]
NPT29 Organism Rattus norvegicus Rattus norvegicus Treatment period = 0.28 n.a. PMID[8289206]





 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
- Mus musculus LD50 = 1400.0 mg.kg-1 PMID[17049858]

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
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 NPC116366 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.5 or Top200).

Similarity Score Similarity Level Natural Product ID
0.5152 Remote Similarity NPC220523

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>=0.5 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
NPD

Bioactivity similarity

  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