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.
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Formula C50H67N7O8
Net Charge 0
Average Mass 894.10910
Monoisotopic Mass 893.505
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.
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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
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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 Waiting for 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