Ligand id: 8387

Name: EPZ005687

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 88.49
Molecular weight 539.29
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
EPZ005687 is >500-fold selective for EZH2 compared to 15 other protein methyltransferases and is 50-fold selective compared to closely related HMT EZH1 [1]. The compound reduces histone 3 (lysine 27) hypermethylation in lymphoma cells carrying Tyr641 or Ala677 EZH2 mutations, and treatment leads to apoptotic cell death [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
enhancer of zeste 2 polycomb repressive complex 2 subunit Hs Inhibitor Inhibition 7.6 pKi - 1
pKi 7.6 (Ki 2.4x10-8 M) [1]