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CHEBI:132084 - SU11652

ChEBI IDCHEBI:132084
ChEBI NameSU11652
Stars
DefinitionA member of the class of pyrrolecarboxamides obtained by formal condensation of the carboxy group of 5-[(Z)-(5-chloro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic acid with the primary amino group of N1,N1-diethylethane-1,2-diamine.
Last Modified31 May 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H27ClN4O2
Net Charge0
Average Mass414.937
Monoisotopic Mass414.18225
SMILESCCN(CC)CCNC(=O)c1c(C)nc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C
InChIInChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKeyXPLJEFSRINKZLC-ATVHPVEESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor  An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of sphingomyelin phosphodiesterase (EC 3.1.4.12).
ChEBI Ontology
Outgoing Relation(s)
SU11652 (CHEBI:132084) has functional parent 3-methyleneoxindole (CHEBI:17920)
SU11652 (CHEBI:132084) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
SU11652 (CHEBI:132084) has role EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor (CHEBI:76811)
SU11652 (CHEBI:132084) is a olefinic compound (CHEBI:78840)
SU11652 (CHEBI:132084) is a organochlorine compound (CHEBI:36683)
SU11652 (CHEBI:132084) is a oxindoles (CHEBI:38459)
SU11652 (CHEBI:132084) is a pyrrolecarboxamide (CHEBI:48611)
SU11652 (CHEBI:132084) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Synonyms  Source
SU-11652ChEBI
SU 11652ChEBI
Registry NumbersSources
Reaxys:9364272Reaxys
Citations