Molecule Details
InChIKeyBBAWEDCPNXPBQM-GDEBMMAJSA-N
Compound NameTelaprevir
Canonical SMILESCCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)9
Pfam Stratification Cross-Family
Avg pChEMBL7.26
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB05521
Drug NameTelaprevir
CAS Number402957-28-2
Groups approved withdrawn
ATC Codes J05AP02
DescriptionTelaprevir is a direct acting antiviral medication used as part of combination therapy to treat chronic Hepatitis C, an infectious liver disease caused by infection with Hepatitis C Virus (HCV). HCV is a single-stranded RNA virus that is categorized into nine distinct genotypes, with genotype 1 bein...

Categories: Amino Acids, Peptides, and Proteins Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals for treatment of HCV infections Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Direct Acting Antivirals Enzyme Inhibitors HCV NS3/4A Protease Inhibitors NS3/4A Protease Inhibitors OATP1B1/SLCO1B1 Inhibitors Organic Anion Transporting Polypeptide 1B1 Inhibitors Organic Anion Transporting Polypeptide 2B1 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Peptides Protease Inhibitors
Cross-references: BindingDB: 50326056 ChEBI: 68595 CHEMBL231813 ChemSpider: 2279948 Drugs Product Database (DPD): 20897 D09012 PharmGKB: PA165958354 PubChem:3010818 PubChem:175427024 RxCUI: 1102261 Wikipedia: Telaprevir ZINC: ZINC000003992480
Target Activities (9)
Target Gene Organism Category Pfam pChEMBL Type Source
P23946 CMA1 Homo sapiens Human PF00089 7.6 IC50 ChEMBL;BindingDB
Q9UNI1 CELA1 Homo sapiens Human PF00089 7.5 IC50 ChEMBL;BindingDB
P07858 CTSB Homo sapiens Human PF00112 PF08127 6.7 IC50 ChEMBL;BindingDB
P25774 CTSS Homo sapiens Human PF08246 PF00112 6.5 IC50 ChEMBL;BindingDB
P43235 CTSK Homo sapiens Human PF08246 PF00112 6.2 IC50 ChEMBL;BindingDB
P08246 ELANE Homo sapiens Human PF00089 6.2 IC50 ChEMBL;BindingDB
Q91RS4 Hepacivirus hominis Pathogen PF02907 8.4 Ki BindingDB
A3EZI9 NS3 Hepacivirus hominis Pathogen PF07652 PF22027 PF02907 8.2 Ki ChEMBL
D2K2A8 NS4A Hepacivirus hominis Pathogen PF01006 8.2 Ki ChEMBL
DrugBank Target Actions (10)
Target Gene Target Name Action Type
P02763 P02763 Alpha-1-acid glycoprotein 1 substrate carriers
P02768 ALB Albumin substrate carriers
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
B0B3C9 B0B3C9 Genome polyprotein inhibitor targets
O94956 SLCO2B1 Solute carrier organic anion transporter family member 2B1 inhibitor targets
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor targets
P26664 Genome polyprotein modulator targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters