Molecule Details
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N
Compound NameResveratrol
Canonical SMILESOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)18
Pfam Stratification Cross-Family
Avg pChEMBL6.4
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB02709
Drug NameResveratrol
CAS Number501-36-0
Groups investigational
ATC Codes nan
DescriptionResveratrol (3,5,4'-trihydroxystilbene) is a polyphenolic phytoalexin. It is a stilbenoid, a derivate of stilbene, and is produced in plants with the help of the enzyme stilbene synthase. It exists as cis-(Z) and trans-(E) isomers. The trans- form can undergo isomerisation to the cis- form when heat...

Categories: Angiogenesis Inhibitors Anticarcinogenic Agents Antioxidants Antiplatelet agents Antirheumatic Agents Benzene Derivatives Benzylidene Compounds Biological Factors Compounds used in a research, industrial, or household setting Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Hematologic Agents Phenols Polyphenols Protective Agents Stilbenes Stilbestrols Vasodilating Agents
Cross-references: BindingDB: 23926 ChEBI: 45713 CHEMBL165 ChemSpider: 392875 C03582 PDB: STL PharmGKB: PA165291838 PubChem:445154 PubChem:46504705 RxCUI: 1000492 Therapeutic Targets Database: DNC001205 Wikipedia: Resveratrol ZINC: ZINC000000006787
Target Activities (18)
Target Gene Organism Category Pfam pChEMBL Type Source
P27487 DPP4 Homo sapiens Human PF00930 PF00326 9.2 IC50 ChEMBL;BindingDB
P04798 CYP1A1 Homo sapiens Human PF00067 6.6 IC50 ChEMBL
P05177 CYP1A2 Homo sapiens Human PF00067 6.6 IC50 ChEMBL
P42336 PIK3CA Homo sapiens Human PF00454 PF00792 PF02192 PF00794 PF00613 6.6 IC50 ChEMBL
P21397 MAOA Homo sapiens Human PF01593 6.3 IC50 ChEMBL
P02766 TTR Homo sapiens Human PF00576 6.3 Kd ChEMBL;BindingDB
P42338 PIK3CB Homo sapiens Human PF00454 PF00792 PF02192 PF00794 PF00613 6.3 IC50 ChEMBL
P08684 CYP3A4 Homo sapiens Human PF00067 6.2 IC50 ChEMBL
P23219 PTGS1 Homo sapiens Human PF03098 6.1 IC50 ChEMBL;BindingDB
O75762 TRPA1 Homo sapiens Human PF00023 PF12796 PF13637 PF00520 6.1 IC50 ChEMBL;BindingDB
Q16678 CYP1B1 Homo sapiens Human PF00067 6.1 Ki ChEMBL;BindingDB
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 6.1 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.1 pIC50 TTD_MultiTarget
Q16790 CA9 Homo sapiens Human PF00194 6.1 Ki ChEMBL;BindingDB
Q9ULX7 CA14 Homo sapiens Human PF00194 6.1 Ki ChEMBL;BindingDB
P16083 NQO2 Homo sapiens Human PF02525 6.0 IC50 ChEMBL;BindingDB
O43570 CA12 Homo sapiens Human PF00194 6.0 Ki ChEMBL;BindingDB
P35354 PTGS2 Homo sapiens Human PF03098 6.0 IC50 ChEMBL;BindingDB
DrugBank Target Actions (40)
Target Gene Target Name Action Type
P02766 TTR Transthyretin binder carriers
P02768 ALB Albumin binder carriers
P05177 CYP1A2 Cytochrome P450 1A2 inducer enzymes
P04798 CYP1A1 Cytochrome P450 1A1 inhibitor enzymes
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
Q16678 CYP1B1 Cytochrome P450 1B1 inhibitor enzymes
P04798 CYP1A1 Cytochrome P450 1A1 substrate enzymes
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
Q16678 CYP1B1 Cytochrome P450 1B1 substrate enzymes
O75469 NR1I2 Nuclear receptor subfamily 1 group I member 2 binder targets
P03372 ESR1 Estrogen receptor binder targets
P05067 APP Amyloid-beta precursor protein binder targets
P05106 ITGB3 Integrin beta-3 binder targets
P08648 ITGA5 Integrin alpha-5 binder targets
P09917 ALOX5 Polyunsaturated fatty acid 5-lipoxygenase binder targets
P11166 SLC2A1 Solute carrier family 2, facilitated glucose transporter member 1 binder targets
P16050 ALOX15 Polyunsaturated fatty acid lipoxygenase ALOX15 binder targets
P16083 NQO2 Ribosyldihydronicotinamide dehydrogenase [quinone] binder targets
P35869 AHR Aryl hydrocarbon receptor binder targets
P37231 PPARG Peroxisome proliferator-activated receptor gamma binder targets
P37840 SNCA Alpha-synuclein binder targets
P48039 MTNR1A Melatonin receptor type 1A binder targets
P49286 MTNR1B Melatonin receptor type 1B binder targets
P68400 CSNK2A1 Casein kinase II subunit alpha binder targets
Q07869 PPARA Peroxisome proliferator-activated receptor alpha binder targets
Q14994 NR1I3 Nuclear receptor subfamily 1 group I member 3 binder targets
Q86T13 Q86T13 C-type lectin domain family 14 member A binder targets
Q8TCG2 Q8TCG2 Phosphatidylinositol 4-kinase type 2-beta binder targets
Q92945 KHSRP Far upstream element-binding protein 2 binder targets
P16152 CBR1 Carbonyl reductase [NADPH] 1 inhibitor targets
P23219 PTGS1 Prostaglandin G/H synthase 1 inhibitor targets
P31749 AKT1 RAC-alpha serine/threonine-protein kinase inhibitor targets
P35354 PTGS2 Prostaglandin G/H synthase 2 inhibitor targets
P54577 YARS1 Tyrosine--tRNA ligase, cytoplasmic inhibitor targets
Q96EB6 SIRT1 NAD-dependent protein deacetylase sirtuin-1 inhibitor targets