CHEBI:132975 - grazoprevir

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ChEBI Name grazoprevir
ChEBI ID CHEBI:132975
Definition An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C38H50N6O9S
Net Charge 0
Average Mass 766.906
Monoisotopic Mass 766.336
InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1
InChIKey OBMNJSNZOWALQB-NCQNOWPTSA-N
SMILES [C@@]1(C(NS(C2CC2)(=O)=O)=O)(C[C@H]1C=C)NC(=O)[C@H]3N4C[C@@H](C3)OC5=C(CCCCC[C@H]6[C@@H](C6)OC(N[C@H](C4=O)C(C)(C)C)=O)N=C7C(=N5)C=C(C=C7)OC
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
hepatitis C protease inhibitor
An inhibitor of hepatitis C protease, an enzyme required for production of proteins needed for viral assembly.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
hepatoprotective agent
Any compound that is able to prevent damage to the liver.
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ChEBI Ontology
Outgoing grazoprevir (CHEBI:132975) has role antiviral drug (CHEBI:36044)
grazoprevir (CHEBI:132975) has role hepatitis C protease inhibitor (CHEBI:64924)
grazoprevir (CHEBI:132975) has role hepatoprotective agent (CHEBI:62868)
grazoprevir (CHEBI:132975) is a N-sulfonylcarboxamide (CHEBI:90852)
grazoprevir (CHEBI:132975) is a aromatic ether (CHEBI:35618)
grazoprevir (CHEBI:132975) is a azamacrocycle (CHEBI:52898)
grazoprevir (CHEBI:132975) is a carbamate ester (CHEBI:23003)
grazoprevir (CHEBI:132975) is a cyclopropanes (CHEBI:51454)
grazoprevir (CHEBI:132975) is a lactam (CHEBI:24995)
grazoprevir (CHEBI:132975) is a quinoxaline derivative (CHEBI:38771)
Incoming Zepatier (CHEBI:132973) has part grazoprevir (CHEBI:132975)
IUPAC Name
(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
INN Source
grazoprevir ChemIDplus
Synonym Source
MK 5172 ChemIDplus
Manual Xrefs Databases
5081 DrugCentral
Grazoprevir Wikipedia
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Registry Numbers Types Sources
1350514-68-9 CAS Registry Number ChemIDplus
19999739 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017