CHEBI:90905 - DEL-22379

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ChEBI Name DEL-22379
ChEBI ID CHEBI:90905
Definition An oxindole that is 5-amino-oxindole in which the 5-amino group has undergone formal condensation with the carboxy group of 3-(piperidin-1-yl)propanoic acid to give the corresponding carboxamide and in which the hydrogens at position 3 have been replaced by a (5-methoxy-1H-indol-3-yl)methylene group (Z configuration). It is an inhibitor of extracellular signal-regulated kinase (ERK) dimerisation.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C26H28N4O3
Net Charge 0
Average Mass 444.527
Monoisotopic Mass 444.216
InChI InChI=1S/C26H28N4O3/c1-33-19-6-8-23-20(15-19)17(16-27-23)13-22-21-14-18(5-7-24(21)29-26(22)32)28-25(31)9-12-30-10-3-2-4-11-30/h5-8,13-16,27H,2-4,9-12H2,1H3,(H,28,31)(H,29,32)/b22-13-
InChIKey INQUULPXCZAKMS-XKZIYDEJSA-N
SMILES C(CCN1CCCCC1)(NC2=CC/3=C(NC(\C3=C/C4=CNC5=C4C=C(C=C5)OC)=O)C=C2)=O
Roles Classification
Biological Role(s): ERK dimerisation inhibitor
An inhibitor that interferes with the dimerisation of extracellular signal-regulated kinase (ERK).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing DEL-22379 (CHEBI:90905) has role antineoplastic agent (CHEBI:35610)
DEL-22379 (CHEBI:90905) has role ERK dimerisation inhibitor (CHEBI:90961)
DEL-22379 (CHEBI:90905) is a enamide (CHEBI:51751)
DEL-22379 (CHEBI:90905) is a oxindoles (CHEBI:38459)
DEL-22379 (CHEBI:90905) is a piperidines (CHEBI:26151)
DEL-22379 (CHEBI:90905) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propanamide
Synonyms Sources
DEL22379 ChEBI
N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propionamide ChEBI
Registry Number Type Source
18638308 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26267534 PubMed citation SUBMITTER
Last Modified
07 March 2018