A-395

Ligand id: 9525

Name: A-395

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 55.48
Molecular weight 486.25
XLogP 3.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
A-395 inhibits PRC2 complex-mediated methylation of H3K27 with an IC50 of 34nM [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
embryonic ectoderm development Hs Inhibitor Binding 9.4 pKi - 1
pKi 9.4 (Ki 4x10-10 M) [1]