Molecule Details
| InChIKey | LUKBXSAWLPMMSZ-OWOJBTEDSA-N |
|---|---|
| Compound Name | Resveratrol |
| Canonical SMILES | Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.4 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02709 |
|---|---|
| Drug Name | Resveratrol |
| CAS Number | 501-36-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Resveratrol (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 |