tacedinaline   Click here for help

GtoPdb Ligand ID: 8367

Synonyms: CI-994 | CI994
Compound class: Synthetic organic
Comment: Tacedinaline inhibits the histone deacetylase enzyme HDAC1 [6], and is reported to have antitumour activity in preclinical studies [2,4-5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 84.22
Molecular weight 269.12
XLogP 1.43
No. Lipinski's rules broken 0
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Canonical SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Isomeric SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
histone deacetylase 1 Primary target of this compound Hs Inhibitor Inhibition 7.3 pKi - 1
pKi 7.3 (Ki 5x10-8 M) [1]
histone deacetylase 2 Hs Inhibitor Inhibition 6.8 pKi - 1
pKi 6.8 (Ki 1.5x10-7 M) [1]
histone deacetylase 3 Hs Inhibitor Inhibition 6.3 pKi - 1
pKi 6.3 (Ki 5.5x10-7 M) [1]
histone deacetylase 1 Hs Inhibitor Inhibition 6.2 pIC50 - 6
pIC50 6.2 (IC50 5.7x10-7 M) [6]