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CHEBI:47322 - N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide

ChEBI IDCHEBI:47322
ChEBI NameN-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
Stars
ASCII NameN-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
DefinitionA member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I.
Last Modified26 March 2015
DownloadsMolfile
FormulaC11H12ClN3O2S
Net Charge0
Average Mass285.756
Monoisotopic Mass285.03388
SMILESNCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
InChIInChI=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
InChIKeyOGKYMFFYOWUTKV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (CHEBI:47322) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (CHEBI:47322) is a isoquinolines (CHEBI:24922)
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (CHEBI:47322) is a organochlorine compound (CHEBI:36683)
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (CHEBI:47322) is a primary amino compound (CHEBI:50994)
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (CHEBI:47322) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
Synonyms  Source
CKI 7ChemIDplus
CKI-7ChemIDplus
Manual XrefsDatabases
CKIPDBeChem
US4943581Patent
DB03693DrugBank
Registry NumbersSources
Reaxys:13642444Reaxys
CAS:120615-25-0ChemIDplus