CHEBI:90954 - MCB-613

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name MCB-613 ChEBI ID CHEBI:90954 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Margaret Duesbury Supplier Information ChemicalBook:CB03049202, eMolecules:25826425, ZINC000004565149 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H20N2O Net Charge 0 Average Mass 304.386 Monoisotopic Mass 304.15756 InChI 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 SMILES C/1(/C(/CC(C\C1=C/C2=CN=CC=C2)CC)=C/C3=CN=CC=C3)=O Roles Classification Biological Role(s): steroid receptor coactivator stimulator A compound that enhances the activity of a steroid receptor coactivator. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing MCB-613 (CHEBI:90954) has role antineoplastic agent (CHEBI:35610) MCB-613 (CHEBI:90954) has role steroid receptor coactivator stimulator (CHEBI:90991) MCB-613 (CHEBI:90954) is a cyclic ketone (CHEBI:3992) MCB-613 (CHEBI:90954) is a enone (CHEBI:51689) MCB-613 (CHEBI:90954) is a pyridines (CHEBI:26421) IUPAC Name (2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylene)cyclohexanone Synonyms Sources (2E,6E)-4-ethyl-2,6-bis(3-pyridylmethylene)cyclohexan-1-one ChEBI MCB 613 ChEBI MCB613 ChEBI Manual Xref Database WO2008144011 Patent View more database links Registry Number Type Source 25955891 Reaxys Registry Number Reaxys Citation Last Modified 20 January 2016