InChIKey	XRWSZZJLZRKHHD-WVWIJVSJSA-N
Compound Name	Asunaprevir
Canonical SMILES	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	9.0
Source	ChEMBL;BindingDB

DrugBank ID	DB11586
Drug Name	Asunaprevir
CAS Number	630420-16-5
Groups	approved withdrawn
ATC Codes	J05AP06 J05AP58
Description	Asunaprevir, also named BMS-650032, is a potent hepatitis C virus (HCV) NS3 protease inhibitor. It has been shown to have a very high efficacy in dual-combination regimens with daclatasvir in patients chronically infected with HCV genotype 1b.[A32528] It was developed by Bristol-Myers Squibb Canada ...

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Categories: Amides Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals for treatment of HCV infections Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inducers Cytochrome P-450 CYP3A5 Inducers (weak) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Direct Acting Antivirals Enzyme Inhibitors HCV Protease Inhibitors HIV Protease Inhibitors Heterocyclic Compounds, Fused-Ring OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 inhibitors OATP2B1/SLCO2B1 substrates Organic Anion Transporting Polypeptide 2B1 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Protease Inhibitors Sulfones Sulfur Compounds

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Cross-references: BindingDB: 50287594 ChEBI: 134723 CHEMBL2105735 ChemSpider: 17235944 Drugs Product Database (DPD): 22694 PDB: 2R9 PharmGKB: PA166128168 PubChem:16076883 PubChem:347827994 RxCUI: 1652103 Wikipedia: Asunaprevir ZINC: ZINC000085540202