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CHEBI:136047 - vaniprevir

ChEBI IDCHEBI:136047
ChEBI Namevaniprevir
Stars
DefinitionAn azamacrocyclic compound that is a hepatitis C virus (HCV) NS3/4A protease inhibitor which is approved for the treatment of hepatitis C virus infections in Japan.
Last Modified14 January 2021
DownloadsMolfile
FormulaC38H55N5O9S
Net Charge0
Average Mass757.951
Monoisotopic Mass757.37205
SMILES[H][C@@]12CN(C(=O)[C@]([H])(C(C)(C)C)NC(=O)OCC(C)(C)CCCCc3cccc4c3CN(C4)C(=O)O1)[C@]([H])(C(=O)N[C@]1(C(=O)NS(=O)(=O)C3CC3)C[C@@]1([H])CC)C2
InChIInChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
InChIKeyKUQWGLQLLVFLSM-ONAXAZCASA-N
Wikipedia
Roles Classification
Biological Roles:
hepatitis C protease inhibitor  An inhibitor of hepatitis C protease, an enzyme required for production of proteins needed for viral assembly.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
vaniprevir (CHEBI:136047) has role antiviral drug (CHEBI:36044)
vaniprevir (CHEBI:136047) has role hepatitis C protease inhibitor (CHEBI:64924)
vaniprevir (CHEBI:136047) is a N-sulfonylcarboxamide (CHEBI:90852)
vaniprevir (CHEBI:136047) is a azamacrocycle (CHEBI:52898)
vaniprevir (CHEBI:136047) is a carbamate ester (CHEBI:23003)
vaniprevir (CHEBI:136047) is a cyclopropanes (CHEBI:51454)
vaniprevir (CHEBI:136047) is a pyrrolidinecarboxamide (CHEBI:46770)
IUPAC Name 
(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
INNs  Source
vaniprevirumWHO MedNet
vaniprevirWHO MedNet
vaniprevirWHO MedNet
vaniprévirWHO MedNet
Synonyms  Source
MK-7009ChemIDplus
MK7009ChemIDplus
MK 7009ChEBI
Brand Name  Source
VanihepChemIDplus
Manual XrefsDatabases
4939DrugCentral
DB11929DrugBank
D09987KEGG DRUG
VaniprevirWikipedia
28475381ChemSpider
SU3PDBeChem
Registry NumbersSources
CAS:923590-37-8ChemIDplus
Citations