Molecule Details
| InChIKey | DOBMPNYZJYQDGZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Dicoumarol |
| Canonical SMILES | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00266 |
|---|---|
| Drug Name | Dicoumarol |
| CAS Number | 66-76-2 |
| Groups | approved |
| ATC Codes | B01AA01 |
| Description | Dicoumarol is an oral anticoagulant agent that works by interfering with the metabolism of vitamin K. In addition to its clinical use, it is also used in biochemical experiments as an inhibitor of reductases. |
Categories: 4-Hydroxycoumarins Anticoagulants Benzopyrans Blood and Blood Forming Organs Coumarins Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Substrates Enzyme Inhibitors Fibrinolytic Agents Hematologic Agents Heterocyclic Compounds, Fused-Ring Narrow Therapeutic Index Drugs Pyrans Uncoupling Agents Vitamin K Antagonists
Cross-references: BindingDB: 35525 ChEBI: 4513 CHEMBL1466 ChemSpider: 10183330 C00796 D03798 PharmGKB: PA449298 PubChem:54676038 PubChem:46505536 RxCUI: 1598 Therapeutic Targets Database: DAP000768 Wikipedia: Dicoumarol ZINC: ZINC000003869855
Target Activities (3)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P05178 | P05178 | Cytochrome P450 2C6 | inhibitor | enzymes |
| P08683 | P08683 | Cytochrome P450 2C11 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P15559 | NQO1 | NAD(P)H dehydrogenase [quinone] 1 | inhibitor | targets |
| Q08257 | Q08257 | Zeta-crystallin | inhibitor | targets |
| Q9BQB6 | VKORC1 | Vitamin K epoxide reductase complex subunit 1 | inhibitor | targets |