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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:MCB-613
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Accession:CHEBI:90954 term browser browse the term
Definition:A cyclic ketone that is 4-ethylcyclohexanone which is substituted by pyridin-3-ylmethylene groups at positions 2 and 6. It is a potent small molecule stimulator of steroid receptor coactivators (SRCs). MCB-613 increases SRCs' interactions with other coactivators and markedly induces ER stress coupled to the generation of reactive oxygen species. Since cancer cells overexpress SRCs and rely on them for growth, MCB-613 can be used to selectively induce excessive stress in cancer cells.
Synonyms:exact_synonym: (2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylene)cyclohexanone
 related_synonym: (2E,6E)-4-ethyl-2,6-bis(3-pyridylmethylene)cyclohexan-1-one;   Formula=C20H20N2O;   InChI=1S/C20H20N2O/c1-2-15-9-18(11-16-5-3-7-21-13-16)20(23)19(10-15)12-17-6-4-8-22-14-17/h3-8,11-15H,2,9-10H2,1H3/b18-11+,19-12+;   InChIKey=MMBSCBVEHMETSA-GDAWTGGTSA-N;   MCB613;   SMILES=C/1(/C(/CC(C\\C1=C/C2=CN=CC=C2)CC)=C/C3=CN=CC=C3)=O
 xref: PMID:26267537;   Patent:WO2008144011;   Reaxys:25955891



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Term Annotations click to browse term
  CHEBI ontology 26040
    role 25956
      biological role 25935
        biochemical role 25169
          steroid receptor coactivator stimulator 0
            MCB-613 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    p-block element atom 25840
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic group 23608
                              organic divalent group 23569
                                organodiyl group 23569
                                  carbonyl group 23563
                                    carbonyl compound 23563
                                      ketone 19357
                                        alpha,beta-unsaturated ketone 10547
                                          enone 10547
                                            MCB-613 0
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