Molecule Details
| InChIKey | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Coumarin |
| Canonical SMILES | O=c1ccc2ccccc2o1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.96 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04665 |
|---|---|
| Drug Name | Coumarin |
| CAS Number | 91-64-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Anticoagulants Benzopyrans Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Substrates Edema, drug therapy Heterocyclic Compounds, Fused-Ring Pyrans Vitamin K Antagonists
Cross-references: BindingDB: 12342 ChEBI: 28794 CHEMBL6466 ChemSpider: 13848793 C05851 PDB: COU PharmGKB: PA134521193 PubChem:323 PubChem:46509134 RxCUI: 2898 Wikipedia: Coumarin ZINC: ZINC000000074709
Target Activities (3)
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | binder | targets |
| O43570 | CA12 | Carbonic anhydrase 12 | inhibitor | targets |
| P00915 | CA1 | Carbonic anhydrase 1 | inhibitor | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| P22748 | CA4 | Carbonic anhydrase 4 | inhibitor | targets |
| P23280 | CA6 | Carbonic anhydrase 6 | inhibitor | targets |
| Q16790 | CA9 | Carbonic anhydrase 9 | inhibitor | targets |
| Q9ULX7 | CA14 | Carbonic anhydrase 14 | inhibitor | targets |