belinostat

Ligand id: 7496

Name: belinostat

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 103.88
Molecular weight 318.07
XLogP 3.22
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
Belinostat inhibits histone deacetylase activity in HeLa cell extracts with an IC50 of 27 nM and induces a concentration-dependent increase in acetylation of histone H4 in tumor cell lines [4]. Belinostat inhibits purified recombinant hHDACs 1-9 with EC50 values ranging from 20- 216nM [3].
Note that since this drug acts across the HDAC I and II families, we have not tagged a primary target for belinostat.
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 2 Inhibitor Inhibition 9.1 pKi - 1
pKi 9.1 (Ki 8.5x10-10 M) [1]
histone deacetylase 1 Inhibitor Inhibition 9.1 pKi - 1
pKi 9.1 (Ki 8.5x10-10 M) [1]
histone deacetylase 3 Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 (Ki 1.5x10-9 M) [1]
histone deacetylase 6 Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 (Ki 1.6x10-9 M) [1]
histone deacetylase 8 Inhibitor Inhibition 7.6 pKi - 1
pKi 7.6 (Ki 2.5x10-8 M) [1]
histone deacetylase 7 Inhibitor Inhibition 7.1 pKi - 1
pKi 7.1 (Ki 7.5x10-8 M) [1]
histone deacetylase 5 Inhibitor Inhibition 6.8 pKi - 1
pKi 6.8 (Ki 1.75x10-7 M) [1]
histone deacetylase 9 Inhibitor Inhibition 6.6 pKi - 1
pKi 6.6 (Ki 2.5x10-7 M) [1]
histone deacetylase 4 Inhibitor Inhibition 6.4 pKi - 1
pKi 6.4 (Ki 3.8x10-7 M) [1]
histone deacetylase 3 Inhibitor Inhibition 7.5 pEC50 - 3
pEC50 7.5 (EC50 3x10-8 M) [3]
histone deacetylase 1 Inhibitor Inhibition 7.4 pEC50 - 3
pEC50 7.4 (EC50 4.1x10-8 M) [3]
histone deacetylase 7 Inhibitor Inhibition 7.2 pEC50 - 3
pEC50 7.2 (EC50 6.7x10-8 M) [3]
histone deacetylase 6 Inhibitor Inhibition 7.1 pEC50 - 3
pEC50 7.1 (EC50 8.2x10-8 M) [3]
histone deacetylase 4 Inhibitor Inhibition 6.9 pEC50 - 3
pEC50 6.9 (EC50 1.15x10-7 M) [3]
histone deacetylase 2 Inhibitor Inhibition 6.9 pEC50 - 3
pEC50 6.9 (EC50 1.25x10-7 M) [3]
histone deacetylase 9 Inhibitor Inhibition 6.9 pEC50 - 3
pEC50 6.9 (EC50 1.28x10-7 M) [3]
histone deacetylase 8 Inhibitor Inhibition 6.7 pEC50 - 3
pEC50 6.7 (EC50 2.16x10-7 M) [3]
Ligand mentioned in the following text fields