NQN-1   Click here for help

GtoPdb Ligand ID: 7058

Synonyms: NSC 73233 | PPM-18
Compound class: Synthetic organic
Comment: This compound is already used to inhibit NF-κB activation, but is also reported to be a selective inhibitor of HDAC6 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.24
Molecular weight 277.07
XLogP 3.17
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1ccccc1)NC1=CC(=O)c2c(C1=O)cccc2
Isomeric SMILES O=C(c1ccccc1)NC1=CC(=O)c2c(C1=O)cccc2
InChI InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
histone deacetylase 6 Hs Inhibitor Inhibition 5.9 pKi - 1
pKi 5.9 (Ki 1.3x10-6 M) [1]