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CHEBI:85182 - dasabuvir

ChEBI IDCHEBI:85182
ChEBI Namedasabuvir
Stars
DefinitionA 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H27N3O5S
Net Charge0
Average Mass493.585
Monoisotopic Mass493.16714
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)nc2=O)cc1C(C)(C)C
InChIInChI=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)
InChIKeyNBRBXGKOEOGLOI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
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
dasabuvirKEGG DRUG
Synonym  Source
ABT 333ChemIDplus
Manual XrefsDatabases
D10553KEGG DRUG
DasabuvirWikipedia
4914DrugCentral
Registry NumbersSources
Reaxys:19076087Reaxys
CAS:1132935-63-7KEGG DRUG
CAS:1132935-63-7ChemIDplus
Citations