GK1

4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde

Created:	2007-10-15
Last modified:	2011-06-04

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1 entries where GK1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	23

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Chemical Component Summary
Name	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde
Systematic Name (OpenEye OEToolkits)	4-[4-[(5-hydroxy-2-methyl-phenyl)amino]quinolin-7-yl]-1,3-thiazole-2-carbaldehyde
Formula	C₂₀ H₁₅ N₃ O₂ S
Molecular Weight	361.417
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=Cc4nc(c3ccc2c(nccc2Nc1cc(O)ccc1C)c3)cs4
SMILES	CACTVS	3.341	Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4csc(C=O)n4
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O
Canonical SMILES	CACTVS	3.341	Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4csc(C=O)n4
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O
InChI	InChI	1.03	InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
InChIKey	InChI	1.03	VKQPTVJDZIILPG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07832
Name	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde
Groups	experimental
Synonyms	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Mitogen-activated protein kinase 14	MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...	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