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CHEBI:90905 - DEL-22379

ChEBI IDCHEBI:90905
ChEBI NameDEL-22379
Stars
DefinitionAn 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of 3-(piperidin-1-yl)propanoic acid to give the corresponding carboxamide and in which the hydrogens at position 3 have been replaced by a (5-methoxy-1H-indol-3-yl)methylene group (Z configuration).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.
Last Modified7 March 2018
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC26H28N4O3
Net Charge0
Average Mass444.535
Monoisotopic Mass444.21614
SMILESCOc1ccc2ncc(/C=C3\C(=O)Nc4ccc(NC(=O)CCN5CCCCC5)cc43)c2c1
InChIInChI=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-
InChIKeyINQUULPXCZAKMS-XKZIYDEJSA-N
Roles Classification
Biological Role:
ERK dimerisation inhibitor  An inhibitor that interferes with the dimerisation of extracellular signal-regulated kinase (ERK).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propionamideChEBI
DEL22379ChEBI
Registry NumbersSources
Reaxys:18638308Reaxys
Citations