E89

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

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

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2 entries where E89 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	21

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Chemical Component Summary
Name	6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Systematic Name (OpenEye OEToolkits)	6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one
Formula	C₁₈ H₁₇ N₅ O₂
Molecular Weight	335.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(OC)cc4)N
SMILES	CACTVS	3.341	COc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
Canonical SMILES	CACTVS	3.341	COc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
InChI	InChI	1.03	InChI=1S/C18H17N5O2/c1-25-11-5-2-10(3-6-11)4-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-3,5-6,8-9H,4,7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKey	InChI	1.03	UKRVQKUVWNDGMN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07704
Name	6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Groups	experimental
Synonyms	6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-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