InChIKey	MLSQGNCUYAMAHD-ITNVBOSISA-N
Compound Name	Glecaprevir
Canonical SMILES	CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	9.65
Source	ChEMBL;BindingDB

DrugBank ID	DB13879
Drug Name	Glecaprevir
CAS Number	1365970-03-1
Groups	approved investigational
ATC Codes	J05AP57
Description	Glecaprevir is a direct acting antiviral agent and Hepatitis C virus (HCV) NS3/4A protease inhibitor that targets the the viral RNA replication. In combination with [DB13878], glecaprevir is a useful therapy for patients who experienced therapeutic failure from other NS3/4A protease inhibitors. It d...

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Categories: Acids, Acyclic Amides 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 BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Butyrates Cycloparaffins Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Direct Acting Antivirals HCV NS3/4A Protease Inhibitors Heterocyclic Compounds, Fused-Ring Imino Acids Isobutyrates Lactams NS3/4A Protease Inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 inhibitors OATP1B3 substrates Organic Anion Transporting Polypeptide 1B1 Inhibitors Organic Anion Transporting Polypeptide 1B3 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Sulfones Sulfur Compounds Treatments for Hepatitis C UGT1A1 Inhibitors

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Cross-references: BindingDB: 50573891 CHEMBL3545363 ChemSpider: 35013015 Drugs Product Database (DPD): 22890 D10814 PDB: O31 PubChem:66828839 PubChem:347829330 RxCUI: 1940635 Wikipedia: Glecaprevir ZINC: ZINC000164528615