EZM0414   Click here for help

GtoPdb Ligand ID: 11962

Synonyms: EZM-0414
Compound class: Synthetic organic
Comment: EZM0414 is a first-in-class, oral SETD2 histone methyl transferase inhibitor that was developed by Epizyme for anti-cancer potential. Its chemical structure was disclosed at the AACR spring meeting in 2022 (link to download poster pdf here).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 68.44
Molecular weight 400.23
XLogP 2.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1[nH]c2c(c1)c(C)ccc2F
Isomeric SMILES CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c([nH]1)c(F)ccc2C
InChI InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)21-18(14)13-20(25-21)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1
InChI Key ZGFOQXUCQAEQHH-SJORKVTESA-N
Bioactivity Comments
We have been unable to find published quantitative interaction for this ligand at its stated molecular target (June 2022). A SETD2 IC50 value of 18 nM (determined in an enzyme biochemical assay) was originally revealed in a poster presentation at the American Society of Hematology (ASH) 63rd annual meeting in December 2021. Bioactivity data and the chemical structure for EZM0414 were released in the discovery and first disclosure session of the 2022 AACR meeting (link to download poster pdf here).