Molecule Details
| InChIKey | KUQWGLQLLVFLSM-ONAXAZCASA-N |
|---|---|
| Compound Name | Vaniprevir |
| Canonical SMILES | CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.14 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11929 |
|---|---|
| Drug Name | Vaniprevir |
| CAS Number | 923590-37-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Vaniprevir has been used in trials studying the treatment and diagnostic of Hepatitis C, Chronic Hepatitis C, Hepatitis C, Chronic, Chronic Hepatitis C Infection, and Chronic Genotype 1 Hepatitis C Virus Infection. |
Categories: Amides Amino Acids Amino Acids, Branched-Chain Amino Acids, Cyclic Amino Acids, Essential Amino Acids, Peptides, and Proteins Cycloparaffins Heterocyclic Compounds, Fused-Ring Imino Acids Lactams Sulfones Sulfur Compounds
Cross-references: BindingDB: 103836 ChemSpider: 28475381 PDB: SU3 PharmGKB: PA166128169 PubChem:24765256 PubChem:347828258 Wikipedia: Vaniprevir ZINC: ZINC000095627836
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03366 | gag-pol | Gag-Pol polyprotein | inhibitor | targets |