CK4

4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE

Created:	2003-07-07
Last modified:	2020-06-05

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2 entries where CK4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	18

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Chemical Component Summary
Name	4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
Synonyms	4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE
Systematic Name (OpenEye OEToolkits)	4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
Formula	C₁₆ H₁₃ F₃ N₄ S
Molecular Weight	350.361
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c1ccc(cc1)Nc3nc(c2sc(nc2C)C)ccn3
SMILES	CACTVS	3.341	Cc1sc(c(C)n1)c2ccnc(Nc3ccc(cc3)C(F)(F)F)n2
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F
Canonical SMILES	CACTVS	3.341	Cc1sc(c(C)n1)c2ccnc(Nc3ccc(cc3)C(F)(F)F)n2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
InChIKey	InChI	1.03	MEZFDQUDLQCVNX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02915
Name	4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
Groups	experimental
Synonyms	4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-A2	MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAAL...	unknown
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