CHEBI:132967 - elbasvir

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ChEBI Name elbasvir
Definition A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (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 C49H55N9O7
Net Charge 0
Average Mass 882.019
Monoisotopic Mass 881.42245
InChI InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1
SMILES C=1C(C2=CN=C(N2)[C@]3(N(CCC3)C([C@H](C(C)C)NC(=O)OC)=O)[H])=CC4=C(C1)N5C(=C4)C=6C=CC(=CC6O[C@H]5C=7C=CC=CC7)C=8NC(=NC8)[C@@]9(CCCN9C(=O)[C@@H](NC(=O)OC)C(C)C)[H]
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
hepatitis C virus nonstructural protein 5A inhibitor
Any inhibitor of hepatitis C virus nonstructural protein 5A.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing elbasvir (CHEBI:132967) has role antiviral drug (CHEBI:36044)
elbasvir (CHEBI:132967) has role hepatitis C virus nonstructural protein 5A inhibitor (CHEBI:85185)
elbasvir (CHEBI:132967) has role hepatoprotective agent (CHEBI:62868)
elbasvir (CHEBI:132967) is a N-acylpyrrolidine (CHEBI:46766)
elbasvir (CHEBI:132967) is a L-valine derivative (CHEBI:84129)
elbasvir (CHEBI:132967) is a carbamate ester (CHEBI:23003)
elbasvir (CHEBI:132967) is a imidazoles (CHEBI:24780)
elbasvir (CHEBI:132967) is a organic heterotetracyclic compound (CHEBI:38163)
elbasvir (CHEBI:132967) is a ring assembly (CHEBI:36820)
Incoming Zepatier (CHEBI:132973) has part elbasvir (CHEBI:132967)
methyl {(2S)-1-[(2S)-2-{4-[(6S)-3-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
INN Source
elbasvir KEGG DRUG
Synonyms Sources
MK 8742 ChemIDplus
MK-8742 ChemIDplus
MK8742 ChemIDplus
Manual Xrefs Databases
5080 DrugCentral
Elbasvir Wikipedia
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Registry Numbers Types Sources
1370468-36-2 CAS Registry Number ChemIDplus
1370468-36-2 CAS Registry Number KEGG DRUG
22434581 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017