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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 19811
    role 19818
      biological role 19785
        biochemical role 19496
          steroid receptor coactivator stimulator 0
            MCB-613 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbonyl compound 18858
                                    ketone 17163
                                      alpha,beta-unsaturated ketone 9960
                                        enone 9960
                                          MCB-613 0
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