Molecule Details
| InChIKey | ZVTDLPBHTSMEJZ-JSZLBQEHSA-N |
|---|---|
| Compound Name | Danoprevir |
| Canonical SMILES | CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11779 |
|---|---|
| Drug Name | Danoprevir |
| CAS Number | 850876-88-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Danoprevir has been used in trials studying the treatment of Hepatitis C, Chronic. |
Categories: Amides Amino Acids Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Cycloparaffins Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Imino Acids Lactams Sulfones Sulfur Compounds
Cross-references: CHEMBL258734 ChemSpider: 9460579 PubChem:11285588 PubChem:347828129 Wikipedia: Danoprevir ZINC: ZINC000029058869