Molecule Details
| InChIKey | IZQSVPBOUDKVDZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Isorhamnetin |
| Canonical SMILES | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.15 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16767 |
|---|---|
| Drug Name | Isorhamnetin |
| CAS Number | 480-19-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Benzopyrans Chromones Flavonoids Flavonols Heterocyclic Compounds, Fused-Ring Pyrans
Cross-references: BindingDB: 23409 ChEBI: 6052 CHEMBL379064 ChemSpider: 4444973 C10084 PDB: IRH Wikipedia: Isorhamnetin ZINC: ZINC000000517261
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.4 | Ki | ChEMBL;BindingDB |
| Q16678 | CYP1B1 | Homo sapiens | Human | PF00067 | 8.1 | IC50 | ChEMBL;BindingDB |
| P04798 | CYP1A1 | Homo sapiens | Human | PF00067 | 7.2 | IC50 | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.7 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |
| Q9UHH9 | IP6K2 | Homo sapiens | Human | PF03770 | 6.3 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | inhibitor | targets |