CKI

N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE

Created:	1999-07-08
Last modified:	2011-06-04

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4 entries where CKI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

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Chemical Component Summary
Name	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE
Systematic Name (OpenEye OEToolkits)	N-(2-aminoethyl)-5-chloro-isoquinoline-8-sulfonamide
Formula	C₁₁ H₁₂ Cl N₃ O₂ S
Molecular Weight	285.75
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1c2c(c(Cl)cc1)ccnc2)NCCN
SMILES	CACTVS	3.341	NCCN[S](=O)(=O)c1ccc(Cl)c2ccncc12
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl
Canonical SMILES	CACTVS	3.341	NCCN[S](=O)(=O)c1ccc(Cl)c2ccncc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl
InChI	InChI	1.03	InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2
InChIKey	InChI	1.03	OGKYMFFYOWUTKV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03693
Name	N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide
Groups	experimental
Synonyms	N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide
Categories	Heterocyclic Compounds, Fused-Ring

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Casein kinase I isoform gamma-2	MDFDKKGGKGETEEGRRMSKAGGGRSSHGIRSSGTSSGVLMVGPNFRVGK...	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