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ONTOLOGY REPORT - ANNOTATIONS


Term:DEL-22379
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Accession:CHEBI:90905 term browser browse the term
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of 3-(piperidin-1-yl)propanoic acid to give the corresponding carboxamide and in which the hydrogens at position 3 have been replaced by a (5-methoxy-1H-indol-3-yl)methylene group (Z configuration).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.
Synonyms:exact_synonym: N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propanamide
 related_synonym: DEL22379;   Formula=C26H28N4O3;   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;   N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propionamide;   SMILES=C(CCN1CCCCC1)(NC2=CC/3=C(NC(\\C3=C/C4=CNC5=C4C=C(C=C5)OC)=O)C=C2)=O
 xref: PMID:26267534 "SUBMITTER";   Reaxys:18638308 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      biological role 19678
        inhibitor 18160
          ERK dimerisation inhibitor 0
            DEL-22379 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        carboacyl group 17074
                                          univalent carboacyl group 17074
                                            carbamoyl group 16804
                                              carboxamide 16804
                                                lactam 7818
                                                  gamma-lactam 6057
                                                    oxindoles 5828
                                                      DEL-22379 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.