Molecule Details
| InChIKey | PJZPDFUUXKKDNB-KNINVFKUSA-N |
|---|---|
| Compound Name | Ciluprevir |
| Canonical SMILES | COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.51 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05868 |
|---|---|
| Drug Name | Ciluprevir |
| CAS Number | 300832-84-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | The compound, named BILN 2061, is an orally active inhibitor of the HCV NS3 protease and the first member of this new drug class to be tested in humans. |
Categories: Acids, Acyclic Heterocyclic Compounds, Fused-Ring Sulfur Compounds
Cross-references: BindingDB: 50142916 CHEMBL297884 ChemSpider: 8029420 PubChem:9853710 PubChem:175427047 Wikipedia: Ciluprevir ZINC: ZINC000150339466
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P26664 | Genome polyprotein | inhibitor | targets |