Molecule Details
InChIKeyLLGDPTDZOVKFDU-XUHJSTDZSA-N
Compound NameFaldaprevir
Canonical SMILESC=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 pChEMBL8.75
SourceChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB11808
Drug NameFaldaprevir
CAS Number801283-95-4
Groups investigational
ATC Codes J05AP04
DescriptionFaldaprevir 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)
Target Gene Organism Category Pfam pChEMBL Type Source
F5B4I0 Hepacivirus hominis Pathogen PF01001 8.8 IC50 ChEMBL
A3EZI9 NS3 Hepacivirus hominis Pathogen PF07652 PF22027 PF02907 8.7 Ki ChEMBL
D2K2A8 NS4A Hepacivirus hominis Pathogen PF01006 8.7 Ki ChEMBL
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P03366 gag-pol Gag-Pol polyprotein inhibitor targets