CHEBI:133009 - velpatasvir

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ChEBI Name velpatasvir ChEBI ID CHEBI:133009 Definition A complex organic heteropentacyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with sofosbuvir (under the brand name Epclusa) for treatment of patients with chronic hepatitis C of all six major genotypes. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB62743053, ZINC000203686879 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 C49H54N8O8 Net Charge 0 Average Mass 883.004 Monoisotopic Mass 882.40646 InChI InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1 InChIKey FHCUMDQMBHQXKK-CDIODLITSA-N SMILES C(N1[C@@H](C)CC[C@H]1C2=NC=3C=CC=4C=C5C6=CC=C(C7=CN=C([C@@H]8C[C@H](COC)CN8C(=O)[C@@H](C=9C=CC=CC9)NC(=O)OC)N7)C=C6COC5=CC4C3N2)(=O)[C@H](C(C)C)NC(=O)OC 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. View more via ChEBI Ontology ChEBI Ontology Outgoing velpatasvir (CHEBI:133009) has role antiviral drug (CHEBI:36044) velpatasvir (CHEBI:133009) has role hepatitis C virus nonstructural protein 5A inhibitor (CHEBI:85185) velpatasvir (CHEBI:133009) is a N-acylpyrrolidine (CHEBI:46766) velpatasvir (CHEBI:133009) is a L-valine derivative (CHEBI:84129) velpatasvir (CHEBI:133009) is a carbamate ester (CHEBI:23003) velpatasvir (CHEBI:133009) is a ether (CHEBI:25698) velpatasvir (CHEBI:133009) is a imidazoles (CHEBI:24780) velpatasvir (CHEBI:133009) is a organic heteropentacyclic compound (CHEBI:38164) velpatasvir (CHEBI:133009) is a ring assembly (CHEBI:36820) Incoming Epclusa (CHEBI:133008) has part velpatasvir (CHEBI:133009) IUPAC Name methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-4-yl}-1,11-dihydro[2]benzopyrano[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate INN Source velpatasvir ChemIDplus Synonyms Sources GS 5816 ChemIDplus GS-5816 ChemIDplus GS5816 ChemIDplus Manual Xrefs Databases 5154 DrugCentral Velpatasvir Wikipedia View more database links Registry Numbers Types Sources 1377049-84-7 CAS Registry Number ChemIDplus 23709173 Reaxys Registry Number Reaxys Citations Types Sources 26183611 PubMed citation Europe PMC 26519191 PubMed citation Europe PMC 26551051 PubMed citation Europe PMC 26551263 PubMed citation Europe PMC 26569658 PubMed citation Europe PMC 26571066 PubMed citation Europe PMC 26575258 PubMed citation Europe PMC 26956698 PubMed citation Europe PMC 27015627 PubMed citation Europe PMC 27119242 PubMed citation Europe PMC 27119243 PubMed citation Europe PMC 27135094 PubMed citation Europe PMC 27135095 PubMed citation Europe PMC 27177605 PubMed citation Europe PMC 27240903 PubMed citation Europe PMC 27353271 PubMed citation Europe PMC 27429714 PubMed citation Europe PMC 27444413 PubMed citation Europe PMC 27486033 PubMed citation Europe PMC 27486034 PubMed citation Europe PMC 27508349 PubMed citation Europe PMC Last Modified 22 February 2017