Ligand id: 7814

Name: radotinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 110.51
Molecular weight 530.18
XLogP 5.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Bioactivity Comments
The in vitro growth-inhibitory activity of this compound was determined against several cancer cell lines. Example IC50 values were 0.006 μg/ml in K562 cells, 0.063 μg/ml in HT-1197 cells and 0.06 μg/ml in CT-26 cells [1].
We have been unable to find publicly available affinity data for this compound at its proposed molecular target(s).