abexinostat

Ligand id: 8366

Name: abexinostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 104.04
Molecular weight 397.16
XLogP 2.33
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
Abexinostat exhibits modest selectivity for HDAC1 and HDAC3 [1]. Buggy et al (2006) report IC50 values for abexinostat-induced inhibition of HDACs 2, 6, 8 and 10 in addition to those in the table below [1]. HDAC1 is tagged as the primary molecular target for data metrics purposes only.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
histone deacetylase 1 Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
histone deacetylase 3 Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.2x10-9 M) [1]