vorinostat

Ligand id: 6852

Name: vorinostat

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: vorinostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 78.43
Molecular weight 264.15
XLogP 2.83
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
This drug has the highest pKi value against HDAC1. Rank order of pKi is HDAC1>HDAC2=HDAC6>HDAC3>>HDAC8>>HDAC5 [1]. HDAC1 has been tagged as the drug's primary target for data retrieval purposes only and in no way infers that this is the only target of this drug.
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 8.9 pKi - 1
pKi 8.9 (Ki 1.3x10-9 M) [1]
histone deacetylase 2 Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 (Ki 1.6x10-9 M) [1]
histone deacetylase 6 Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 (Ki 1.6x10-9 M) [1]
histone deacetylase 3 Inhibitor Inhibition 8.3 pKi - 1
pKi 8.3 (Ki 5x10-9 M) [1]
histone deacetylase 11 Inhibitor Inhibition 7.4 pKi - 2
pKi 7.4 (Ki 3.6x10-8 M) [2]
histone deacetylase 10 Inhibitor Inhibition 7.3 pKi - 2
pKi 7.3 (Ki 5x10-8 M) [2]
histone deacetylase 9 Inhibitor Inhibition 7.2 pKi - 2
pKi 7.2 (Ki 6.5x10-8 M) [2]
histone deacetylase 8 Inhibitor Inhibition 6.3 – 6.7 pKi - 1-2
pKi 6.3 – 6.7 (Ki 4.8x10-7 – 2.05x10-7 M) [1-2]
histone deacetylase 5 Inhibitor Inhibition 5.4 pKi - 1
pKi 5.4 (Ki 3.6x10-6 M) [1]
Ligand mentioned in the following text fields