CHEBI:132084 - SU11652

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ChEBI Name SU11652
ChEBI ID CHEBI:132084
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H27ClN4O2
Net Charge 0
Average Mass 414.929
Monoisotopic Mass 414.18225
InChI InChI=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-
InChIKey XPLJEFSRINKZLC-ATVHPVEESA-N
SMILES N1C(=C(C(=C1C)C(=O)NCCN(CC)CC)C)/C=C/2\C(NC3=C2C=C(C=C3)Cl)=O
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 2.7.10.1 (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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
SU 11652 ChEBI
SU-11652 ChEBI
Registry Number Type Source
9364272 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23920274 PubMed citation Europe PMC
Last Modified
31 May 2016