NEZ

6-AMINO-4-[2-(4-METHYLPHENYL)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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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count44
Aromatic Bond Count21
2D diagram of NEZ
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Chemical Component Summary

Name6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Systematic Name (OpenEye OEToolkits)6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one
FormulaC18 H17 N5 O
Molecular Weight319.36
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(cc4)C)N
SMILESCACTVS3.341Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
Canonical SMILESCACTVS3.341 Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
InChIInChI1.03 InChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKeyInChI1.03 SPVJRTJUEVXOMS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08268 
Name6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Groups experimental
Synonyms6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE

Drug Targets

NameTarget SequencePharmacological ActionActions
Queuine tRNA-ribosyltransferaseMVEATAQETDRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAAT...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

Related Resource References

Resource NameReference
PubChem 5326929, 135414394