romidepsin

Ligand id: 7006

Name: romidepsin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 193.3
Molecular weight 540.21
XLogP 3.62
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
Romidepsin has the highest pKi value against HDAC1. Rank order of pKi is HDAC1>HDAC2>HDAC3=HDAC8>HDAC6>HDAC4>>HDAC5>>HDAC9>HDAC7 [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 11.8 pKi - 1
pKi 11.8 (Ki 1.5x10-12 M) [1]
histone deacetylase 2 Inhibitor Inhibition 10.4 pKi - 1
pKi 10.4 (Ki 3.8x10-11 M) [1]
histone deacetylase 3 Inhibitor Inhibition 9.8 pKi - 1
pKi 9.8 (Ki 1.5x10-10 M) [1]
histone deacetylase 8 Inhibitor Inhibition 9.8 pKi - 1
pKi 9.8 (Ki 1.5x10-10 M) [1]
histone deacetylase 6 Inhibitor Inhibition 8.0 pKi - 1
pKi 8.0 (Ki 9.5x10-9 M) [1]
histone deacetylase 4 Inhibitor Inhibition 7.7 pKi - 1
pKi 7.7 (Ki 2.05x10-8 M) [1]
histone deacetylase 5 Inhibitor Inhibition 6.3 pKi - 1
pKi 6.3 (Ki 5.5x10-7 M) [1]
histone deacetylase 9 Inhibitor Inhibition 6.0 pKi - 1
pKi 6.0 (Ki 1.1x10-6 M) [1]
histone deacetylase 7 Inhibitor Inhibition 5.9 pKi - 1
pKi 5.9 (Ki 1.25x10-6 M) [1]
Ligand mentioned in the following text fields