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CHEBI:44143 - emivirine

ChEBI IDCHEBI:44143
ChEBI Nameemivirine
Stars
DefinitionA pyrimidone that is uracil which is substituted at positions 1, 5 and 6 by ethoxymethyl, isopropyl, and benzyl groups, respectively. A non-nucleoside inhibitor of HIV-1 reverse transcriptase, emivirine was an unsuccessful experimental agent for the treatment of HIV.
Last Modified2 August 2011
DownloadsMolfile
FormulaC17H22N2O3
Net Charge0
Average Mass302.374
Monoisotopic Mass302.16304
SMILESCCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)nc1=O
InChIInChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
InChIKeyMLILORUFDVLTSP-UHFFFAOYSA-N
Roles Classification
Biological Roles:
HIV-1 reverse transcriptase inhibitor  An entity which inhibits the activity of HIV-1 reverse transcriptase.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
emivirine (CHEBI:44143) has functional parent uracil (CHEBI:17568)
emivirine (CHEBI:44143) has role antiviral drug (CHEBI:36044)
emivirine (CHEBI:44143) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
emivirine (CHEBI:44143) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
INN  Source
emivirineChemIDplus
Synonyms  Source
6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILPDBeChem
6-benzyl-1-(ethoxymethyl)-5-(1-methylethyl)uracilChEBI
1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine-2,4(1H,3H)-dioneChEBI
MKC-442ChemIDplus
Brand Name  Source
CoactinonKEGG DRUG
Manual XrefsDatabases
MKCPDBeChem
D01055KEGG DRUG
Registry NumbersSources
Reaxys:7340168Reaxys
CAS:149950-60-7ChemIDplus
Citations