Molecule Details
| InChIKey | LLGDPTDZOVKFDU-XUHJSTDZSA-N |
|---|---|
| Compound Name | Faldaprevir |
| Canonical SMILES | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.75 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11808 |
|---|---|
| Drug Name | Faldaprevir |
| CAS Number | 801283-95-4 |
| Groups | investigational |
| ATC Codes | J05AP04 |
| Description | Faldaprevir has been investigated for the treatment of Chronic Hepatitis C. |
Categories: Acids, Acyclic Amino Acids Amino Acids, Branched-Chain Amino Acids, Cyclic Amino Acids, Essential Amino Acids, Peptides, and Proteins Aminobutyrates Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals for treatment of HCV infections Butyrates Direct Acting Antivirals Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Imino Acids Isobutyrates Protease Inhibitors Sulfur Compounds
Cross-references: BindingDB: 50336545 CHEMBL1241348 ChemSpider: 26327117 PDB: L4T PharmGKB: PA166128132 PubChem:42601552 PubChem:347828155 Wikipedia: Faldaprevir ZINC: ZINC000150339145
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03366 | gag-pol | Gag-Pol polyprotein | inhibitor | targets |