CK8

N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE

Created: 2003-07-11
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count44
Aromatic Bond Count18
2D diagram of CK8
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Chemical Component Summary

NameN-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Systematic Name (OpenEye OEToolkits)N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine
FormulaC17 H19 N5 S
Molecular Weight325.431
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04n2c(c1sc(nc1C)C)ccnc2Nc3ccc(N(C)C)cc3
SMILESCACTVS3.341CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1
SMILESOpenEye OEToolkits1.5.0Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C
Canonical SMILESCACTVS3.341 CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C
InChIInChI1.03 InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
InChIKeyInChI1.03 FGGSNQOBRJVAKL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07562 
NameN-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Groups experimental
SynonymsN-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE

Drug Targets

NameTarget SequencePharmacological ActionActions
Cyclin-dependent kinase 2MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...unknown
Cyclin-A2MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAAL...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

Related Resource References

Resource NameReference
Pharos CHEMBL46817
PubChem 447962
ChEMBL CHEMBL46817