MKC

6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL

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Chemical Component Summary
Name	6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL
Identifiers	1-(ethoxymethyl)-6-(phenylmethyl)-5-propan-2-yl-pyrimidine-2,4-dione
Formula	C₁₇ H₂₂ N₂ O₃
Molecular Weight	302.368
Type	NON-POLYMER
Isomeric SMILES	CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2
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

Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB08188 ?
Name	Emivirine
Groups	investigational
Description	Emivirine has been used in trials studying the treatment of HIV Infections.
Synonyms	6-benzyl-1-(ethoxymethyl)-5-(1-methylethyl)uracil Emivirine 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine-2,4(1H,3H)-dione
Categories	Anti-Infective Agents Anti-Retroviral Agents Antiviral Agents Enzyme Inhibitors Nucleic Acid Synthesis Inhibitors Pyrimidines Pyrimidinones Reverse Transcriptase Inhibitors
CAS number	149950-60-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682