apicidin

Ligand id: 7495

Name: apicidin

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 138.84
Molecular weight 623.37
XLogP 4.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
histone deacetylase 1 Hs Inhibitor Inhibition 10.4 pKi - 1
pKi 10.4 (Ki 4x10-11 M) [1]
histone deacetylase 2 Hs Inhibitor Inhibition 9.9 pKi - 1
pKi 9.9 (Ki 1.2x10-10 M) [1]
histone deacetylase 3 Hs Inhibitor Inhibition 9.6 pKi - 1
pKi 9.6 (Ki 2.6x10-10 M) [1]
histone deacetylase 8 Hs Inhibitor Inhibition 7.3 pKi - 1
pKi 7.3 (Ki 4.9x10-8 M) [1]
histone deacetylase 3 Hs Inhibitor Inhibition 7.4 – 7.5 pEC50 - 4
pEC50 7.5 (EC50 3x10-8 M) [4]
pEC50 7.4 (EC50 4.3x10-8 M) [4]
histone deacetylase 2 Hs Inhibitor Inhibition 6.9 pEC50 - 4
pEC50 6.9 (EC50 1.2x10-7 M) [4]
histone deacetylase 8 Hs Inhibitor Inhibition 6.2 pEC50 - 4
pEC50 6.2 (EC50 5.75x10-7 M) [4]