PFE

{4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-METHANOL

Created:	2002-04-19
Last modified:	2011-06-04

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1 entries where PFE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	23

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Chemical Component Summary
Name	{4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-METHANOL
Systematic Name (OpenEye OEToolkits)	[4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-yl]methanol
Formula	C₂₂ H₂₂ N₄ O₃ S
Molecular Weight	422.5
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCc4nc(c3cc(Nc2ncnc1c2cc(OCC)c(OCC)c1)ccc3)cs4
SMILES	CACTVS	3.341	CCOc1cc2ncnc(Nc3cccc(c3)c4csc(CO)n4)c2cc1OCC
SMILES	OpenEye OEToolkits	1.5.0	CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO
Canonical SMILES	CACTVS	3.341	CCOc1cc2ncnc(Nc3cccc(c3)c4csc(CO)n4)c2cc1OCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO
InChI	InChI	1.03	InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)
InChIKey	InChI	1.03	ZJESXGUODSBHSK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02848
Name	{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol
Groups	experimental
Synonyms	{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Fructose-1,6-bisphosphatase 1	MADQAPFDTDVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAVR...	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