compound 9 [PMID: 23788254]

Ligand id: 7492

Name: compound 9 [PMID: 23788254]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 104.32
Molecular weight 374.09
XLogP 2.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
In vitro, this compound inhibits the activity of nuclear HDAC with an IC50 of 4.17nM and inhibits the production of inflammatory cytokines in RAW 264.7 macrophages [1]. In vivo, it has potent anti-inflammatory activity in a rat model of acute inflammation [1].