CK1

4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE

Created:	2003-07-07
Last modified:	2021-03-13

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1 entries where CK1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	12

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Chemical Component Summary
Name	4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE
Synonyms	4-(2,5-DICHLORO-THIOPHEN-3-YL)-PYRIMIDIN-2-YLAMINE
Systematic Name (OpenEye OEToolkits)	4-(2,5-dichlorothiophen-3-yl)pyrimidin-2-amine
Formula	C₈ H₅ Cl₂ N₃ S
Molecular Weight	246.116
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc2sc(Cl)cc2c1nc(ncc1)N
SMILES	CACTVS	3.341	Nc1nccc(n1)c2cc(Cl)sc2Cl
SMILES	OpenEye OEToolkits	1.5.0	c1cnc(nc1c2cc(sc2Cl)Cl)N
Canonical SMILES	CACTVS	3.341	Nc1nccc(n1)c2cc(Cl)sc2Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cnc(nc1c2cc(sc2Cl)Cl)N
InChI	InChI	1.03	InChI=1S/C8H5Cl2N3S/c9-6-3-4(7(10)14-6)5-1-2-12-8(11)13-5/h1-3H,(H2,11,12,13)
InChIKey	InChI	1.03	PAPYICJQRHSQGK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03019
Name	4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine
Groups	experimental
Synonyms	4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine

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