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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
ChEBI ID CHEBI:47322
ChEBI ASCII Name N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C11H12ClN3O2S
Net Charge 0
Average Mass 285.75000
Monoisotopic Mass 285.034
InChI 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 OGKYMFFYOWUTKV-UHFFFAOYSA-N
SMILES NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
CKI 7 ChemIDplus
CKI-7 ChemIDplus
Manual Xrefs Databases
CKI PDBeChem
DB03693 DrugBank
US4943581 Patent
View more database links
Registry Numbers Types Sources
120615-25-0 CAS Registry Number ChemIDplus
13642444 Reaxys Registry Number Reaxys
Last Modified
26 March 2015