CHR-3996

Ligand id: 8391

Name: CHR-3996

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 103.27
Molecular weight 394.16
XLogP 1.49
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
histone deacetylase 1 Inhibitor Inhibition 8.5 pIC50 - 2
pIC50 8.5 (IC50 3x10-9 M) [2]
histone deacetylase 2 Inhibitor Inhibition 8.4 pIC50 - 2
pIC50 8.4 (IC50 4x10-9 M) [2]
histone deacetylase 3 Inhibitor Inhibition 8.1 pIC50 - 2
pIC50 8.1 (IC50 7x10-9 M) [2]
histone deacetylase 5 Inhibitor Inhibition 6.7 pIC50 - 2
pIC50 6.7 (IC50 2x10-7 M) [2]
histone deacetylase 6 Inhibitor Inhibition 5.7 pIC50 - 2
pIC50 5.7 (IC50 2.1x10-6 M) [2]