Ligand id: 8230

Name: IOX1

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 70.42
Molecular weight 189.04
XLogP 1.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Schiller R, Scozzafava G, Tumber A, Wickens JR, Bush JT, Rai G, Lejeune C, Choi H, Yeh TL, Chan MC et al.. (2014)
A cell-permeable ester derivative of the JmjC histone demethylase inhibitor IOX1.
ChemMedChem, 9 (3): 566-71. [PMID:24504543]