CHEBI:132967 - elbasvir

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ChEBI Name elbasvir ChEBI ID CHEBI:132967 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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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 InChIKey BVAZQCUMNICBAQ-PZHYSIFUSA-N 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) IUPAC Name 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 D10625 KEGG DRUG Elbasvir Wikipedia View more database links 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 Types Sources 24127258 PubMed citation Europe PMC 25467591 PubMed citation Europe PMC 26303801 PubMed citation Europe PMC 26371152 PubMed citation Europe PMC 26456905 PubMed citation Europe PMC 26532861 PubMed citation Europe PMC 26818134 PubMed citation Europe PMC 26849059 PubMed citation Europe PMC 26926625 PubMed citation Europe PMC 26927874 PubMed citation Europe PMC 26933896 PubMed citation Europe PMC 26938699 PubMed citation Europe PMC 26943930 PubMed citation Europe PMC 27091555 PubMed citation Europe PMC 27403342 PubMed citation Europe PMC 27418810 PubMed citation Europe PMC 27440554 PubMed citation Europe PMC Last Modified 22 February 2017