EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191396 - (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide

ChEBI IDCHEBI:191396
ChEBI Name(E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
Stars
ASCII Name(E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
DefinitionA N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.
Last Modified10 May 2022
SubmitterAdnan
DownloadsMolfile
FormulaC20H20BrN3O2S
Net Charge0
Average Mass446.370
Monoisotopic Mass445.04596
SMILESO=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12
InChIInChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
InChIKeyZKZXNDJNWUTGDK-NSCUHMNNSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cAMP-dependent protein kinase (EC 2.7.11.11).
ChEBI Ontology
Outgoing Relation(s)
(E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide (CHEBI:191396) is a N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide (CHEBI:47495)
IUPAC Name 
N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide
Synonyms  Source
H-89 (E-isomer)ChEBI
N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamidePDBeChem
Manual XrefsDatabases
IQBPDBeChem
395827ChemSpider