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 ChEMBL and GtoPdb across species (New!)

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