CUDC-101

Ligand id: 8894

Name: CUDC-101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 105.6
Molecular weight 434.2
XLogP 4.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
In vitro CUDC-101 is more potent than established HDAC and kinase inhibitors (vorinostat, erlotinib and lapatinib) and has potent in vivo antiproliferative activity in a variety of cancer xenograft models [1].
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 8.4 pIC50 - 1
pIC50 8.4 (IC50 4.5x10-9 M) [1]
histone deacetylase 6 Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5.1x10-9 M) [1]
histone deacetylase 3 Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 9.1x10-9 M) [1]
histone deacetylase 5 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.14x10-8 M) [1]
histone deacetylase 2 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.26x10-8 M) [1]
histone deacetylase 4 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.32x10-8 M) [1]
histone deacetylase 10 Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.61x10-8 M) [1]
histone deacetylase 9 Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.72x10-8 M) [1]
histone deacetylase 8 Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 7.98x10-8 M) [1]
histone deacetylase 7 Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.73x10-7 M) [1]
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
epidermal growth factor receptor Inhibitor Inhibition 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.4x10-9 M) [1]
erb-b2 receptor tyrosine kinase 2 Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.57x10-8 M) [1]