Molecule Details
| InChIKey | VLEUZFDZJKSGMX-ONEGZZNKSA-N |
|---|---|
| Compound Name | Pterostilbene |
| Canonical SMILES | COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.18 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17939 |
|---|---|
| Drug Name | Pterostilbene |
| CAS Number | 18259-15-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Benzene Derivatives Benzylidene Compounds
Cross-references: BindingDB: 50131688 ChEBI: 8630 CHEMBL83527 ChemSpider: 4445042 C10287 PDB: 3RL Wikipedia: Pterostilbene ZINC: ZINC000000899213
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09917 | ALOX5 | Homo sapiens | Human | PF00305 PF01477 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.3 | IC50 | ChEMBL |
| P04798 | CYP1A1 | Homo sapiens | Human | PF00067 | 6.2 | Ki | ChEMBL;BindingDB |
| P23219 | PTGS1 | Homo sapiens | Human | PF03098 | 6.2 | IC50 | ChEMBL;BindingDB |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q16678 | CYP1B1 | Homo sapiens | Human | PF00067 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q07869 | PPARA | Peroxisome proliferator-activated receptor alpha | agonist | targets |