citarinostat

Ligand id: 9426

Name: citarinostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 107.45
Molecular weight 467.17
XLogP 5.1
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
In vitro combination treatment of MiaPaCa-2 pancreatic cancer, TOV-21G ovarian cancer, and T47D breast cancer cells (with the tubulin inhibitor paclitaxel) more efficiently reduces proliferation and enhances apoptosis than single agent exposure [1]. In vivo, ACY-421 + paclitaxel inhibits tumor xenograft growth.
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 6 Inhibitor Inhibition 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.6x10-9 M) [1]
histone deacetylase 1 Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.5x10-8 M) [1]
histone deacetylase 2 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 4.5x10-8 M) [1]
histone deacetylase 3 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 4.6x10-8 M) [1]
histone deacetylase 8 Inhibitor Inhibition 6.9 pIC50 - 1
pIC50 6.9 (IC50 1.37x10-7 M) [1]