CHEBI:85182 - dasabuvir

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ChEBI Name dasabuvir
ChEBI ID CHEBI:85182
Definition A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, 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 C26H27N3O5S
Net Charge 0
Average Mass 493.577
Monoisotopic Mass 493.167
InChI InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)
InChIKey NBRBXGKOEOGLOI-UHFFFAOYSA-N
SMILES C1=C(C=C2C(=C1)C=C(C=C2)C3=CC(=CC(=C3OC)C(C)(C)C)N4C=CC(NC4=O)=O)NS(C)(=O)=O
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
nonnucleoside hepatitis C virus polymerase inhibitor
Any inhibitor of nonnucleoside hepatitis C virus polymerase.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
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ChEBI Ontology
Outgoing dasabuvir (CHEBI:85182) has functional parent uracil (CHEBI:17568)
dasabuvir (CHEBI:85182) has role antiviral drug (CHEBI:36044)
dasabuvir (CHEBI:85182) has role nonnucleoside hepatitis C virus polymerase inhibitor (CHEBI:85180)
dasabuvir (CHEBI:85182) is a aromatic ether (CHEBI:35618)
dasabuvir (CHEBI:85182) is a naphthalenes (CHEBI:25477)
dasabuvir (CHEBI:85182) is a pyrimidone (CHEBI:38337)
dasabuvir (CHEBI:85182) is a sulfonamide (CHEBI:35358)
IUPAC Name
N-{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide
INN Source
dasabuvir KEGG DRUG
Synonym Source
ABT 333 ChemIDplus
Manual Xrefs Databases
4914 DrugCentral
D10553 KEGG DRUG
Dasabuvir Wikipedia
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Registry Numbers Types Sources
1132935-63-7 CAS Registry Number ChemIDplus
1132935-63-7 CAS Registry Number KEGG DRUG
19076087 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25365973 PubMed citation Europe PMC
25534735 PubMed citation Europe PMC
25582226 PubMed citation Europe PMC
25646891 PubMed citation Europe PMC
25665437 PubMed citation Europe PMC
25674658 PubMed citation Europe PMC
25680759 PubMed citation Europe PMC
25706092 PubMed citation Europe PMC
Last Modified
22 February 2017