emivirine (CHEBI:44143)

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ChEBI Name	emivirine

ChEBI ID	CHEBI:44143

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C17H22N2O3

Net Charge

Average Mass

302.36820

Monoisotopic Mass

302.16304

InChI

InChI=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)

InChIKey

MLILORUFDVLTSP-UHFFFAOYSA-N

SMILES

CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O

Roles Classification
Biological Role(s):	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(s):	antiviral drug A substance used in the prophylaxis or therapy of virus diseases.

ChEBI Ontology
Outgoing	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
emivirine	ChemIDplus

Synonyms	Sources
1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine-2,4(1H,3H)-dione	ChEBI
6-benzyl-1-(ethoxymethyl)-5-(1-methylethyl)uracil	ChEBI
6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL	PDBeChem
MKC-442	ChemIDplus

Brand Name	Source
Coactinon	KEGG DRUG

Last Modified

02 August 2011