CHEBI:136047 - vaniprevir

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ChEBI Name vaniprevir
ChEBI ID CHEBI:136047
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C38H55N5O9S
Net Charge 0
Average Mass 757.940
Monoisotopic Mass 757.37205
InChI InChI=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
InChIKey KUQWGLQLLVFLSM-ONAXAZCASA-N
SMILES [H][C@@]1(CC)C[C@]1(NC(=O)[C@]1([H])C[C@]2([H])CN1C(=O)[C@@]([H])(NC(=O)OCC(C)(C)CCCCC1=C3CN(CC3=CC=C1)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Roles Classification
Biological Role(s): 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(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
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ChEBI Ontology
Outgoing 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 Sources
vaniprévir WHO MedNet
vaniprevir WHO MedNet
vaniprevir WHO MedNet
vaniprevirum WHO MedNet
Synonyms Sources
MK 7009 ChEBI
MK-7009 ChemIDplus
MK7009 ChemIDplus
Brand Name Source
Vanihep ChemIDplus
Manual Xrefs Databases
28475381 ChemSpider
4939 DrugCentral
D09987 KEGG DRUG
DB11929 DrugBank
SU3 PDBeChem
Vaniprevir Wikipedia
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Registry Number Type Source
923590-37-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
14 January 2021