CK5

3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL

Created:	2003-07-10
Last modified:	2011-06-04

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1 entries where CK5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	18

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Chemical Component Summary
Name	3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Systematic Name (OpenEye OEToolkits)	3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
Formula	C₁₅ H₁₄ N₄ O S
Molecular Weight	298.363
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c(c1sc(nc1C)C)ccnc2Nc3cccc(O)c3
SMILES	CACTVS	3.341	Cc1sc(c(C)n1)c2ccnc(Nc3cccc(O)c3)n2
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O
Canonical SMILES	CACTVS	3.341	Cc1sc(c(C)n1)c2ccnc(Nc3cccc(O)c3)n2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O
InChI	InChI	1.03	InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(20)8-11/h3-8,20H,1-2H3,(H,16,18,19)
InChIKey	InChI	1.03	JJDRRZFRTKZLFT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04518
Name	3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol
Groups	experimental
Synonyms	3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	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