RBS

N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE

Created:	2006-08-02
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	17

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Chemical Component Summary
Name	N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
Systematic Name (OpenEye OEToolkits)	N-(4-phenylazanylquinazolin-6-yl)prop-2-enamide
Formula	C₁₇ H₁₄ N₄ O
Molecular Weight	290.319
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(/C=C)Nc3cc1c(ncnc1Nc2ccccc2)cc3
SMILES	CACTVS	3.341	C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1
SMILES	OpenEye OEToolkits	1.5.0	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3
Canonical SMILES	CACTVS	3.341	C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3
InChI	InChI	1.03	InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
InChIKey	InChI	1.03	JGWHILNNHLDARR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08462
Name	N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
Groups	experimental
Synonyms	N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Proto-oncogene tyrosine-protein kinase Src	MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGP...	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