Molecule Details
| InChIKey | DQDAYGNAKTZFIW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Phenprocoumon |
| Canonical SMILES | CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.03 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00946 |
|---|---|
| Drug Name | Phenprocoumon |
| CAS Number | 435-97-2 |
| Groups | approved investigational withdrawn |
| ATC Codes | B01AA04 |
| Description | Coumarin derivative that acts as a long-acting oral anticoagulant. |
Categories: 4-Hydroxycoumarins Anticoagulants Benzopyrans Blood and Blood Forming Organs Coumarins Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Substrates Hematologic Agents Heterocyclic Compounds, Fused-Ring Narrow Therapeutic Index Drugs Pyrans Vitamin K Antagonists Vitamin K Inhibitors
Cross-references: BindingDB: 768 ChEBI: 50438 CHEMBL1465 ChemSpider: 10441592 D05457 PharmGKB: PA450921 PubChem:54680692 PubChem:46506423 RxCUI: 8150 Therapeutic Targets Database: DAP000771 Wikipedia: Phenprocoumon
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 6.0 | IC50 | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P02768 | ALB | Albumin | regulator | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| Q9BQB6 | VKORC1 | Vitamin K epoxide reductase complex subunit 1 | inhibitor | targets |