Molecule Details
InChIKeyKUQWGLQLLVFLSM-ONAXAZCASA-N
Compound NameVaniprevir
Canonical SMILESCC[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 pChEMBL9.14
SourceChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB11929
Drug NameVaniprevir
CAS Number923590-37-8
Groups investigational
ATC Codes nan
DescriptionVaniprevir 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)
Target Gene Organism Category Pfam pChEMBL Type Source
F5B4I0 Hepacivirus hominis Pathogen PF01001 9.4 IC50 ChEMBL
A3EZI9 NS3 Hepacivirus hominis Pathogen PF07652 PF22027 PF02907 9.0 Ki ChEMBL
D2K2A8 NS4A Hepacivirus hominis Pathogen PF01006 9.0 Ki ChEMBL
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P03366 gag-pol Gag-Pol polyprotein inhibitor targets