NE8

6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE

Created:	2004-12-07
Last modified:	2011-06-04

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4 entries where NE8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	21

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Chemical Component Summary
Name	6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Systematic Name (OpenEye OEToolkits)	6-amino-4-phenethyl-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one
Formula	C₁₇ H₁₅ N₅ O
Molecular Weight	305.334
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc4)N
SMILES	CACTVS	3.341	NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
Canonical SMILES	CACTVS	3.341	NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
InChI	InChI	1.03	InChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)
InChIKey	InChI	1.03	PBZAIUVFRISTSZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08267
Name	6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Groups	experimental
Description	6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one is a solid. This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. It is known to target queuine tRNA-ribosyltransferase.
Synonyms	6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Queuine tRNA-ribosyltransferase	MVEATAQETDRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAAT...	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