CHEBI:85183 - ombitasvir

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ChEBI Name ombitasvir ChEBI ID CHEBI:85183 Definition A dipeptide derivative which is used which is in combination with dasabuvir sodium hydrate, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. 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 C50H67N7O8 Net Charge 0 Average Mass 894.10910 Monoisotopic Mass 893.50511 InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1 InChIKey PIDFDZJZLOTZTM-KHVQSSSXSA-N SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) 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 ombitasvir (CHEBI:85183) has functional parent Val-Pro (CHEBI:73701) ombitasvir (CHEBI:85183) has role antiviral drug (CHEBI:36044) ombitasvir (CHEBI:85183) has role hepatitis C virus nonstructural protein 5A inhibitor (CHEBI:85185) ombitasvir (CHEBI:85183) is a aromatic amide (CHEBI:62733) ombitasvir (CHEBI:85183) is a carbamate ester (CHEBI:23003) ombitasvir (CHEBI:85183) is a dipeptide (CHEBI:46761) ombitasvir (CHEBI:85183) is a pyrrolidines (CHEBI:38260) Incoming Technivie (CHEBI:90919) has part ombitasvir (CHEBI:85183) Viekira Pak (CHEBI:85177) has part ombitasvir (CHEBI:85183) IUPAC Name dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate INN Source ombitasvir ChemIDplus Synonyms Sources ABT 267 ChemIDplus ABT-267 ChemIDplus Manual Xrefs Databases 4912 DrugCentral D10576 KEGG DRUG Ombitasvir Wikipedia View more database links Registry Numbers Types Sources 1258226-87-7 CAS Registry Number ChemIDplus 1258226-87-7 CAS Registry Number KEGG DRUG 24582175 Reaxys Registry Number Reaxys Citations Types Sources 25246359 PubMed citation Europe PMC 25365973 PubMed citation Europe PMC 25451055 PubMed citation Europe PMC 25644279 PubMed citation Europe PMC 25646891 PubMed citation Europe PMC 25680759 PubMed citation Europe PMC 25706092 PubMed citation Europe PMC Last Modified 22 February 2017