Ligand id: 9319

Name: amiselimod

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 75.71
Molecular weight 377.22
XLogP 4.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Bioactivity Comments
In vivo (in mice) amiselimod (MT-1303) hydrochloride decreases peripheral blood lymphocyte count with an ED50 value of 0.04mg/kg body weight [1]. Affinity for S1P receptors is not provided in the patent. Note that bioactivity is attributed to the active metabolite amiselimod phosphate [3], the prodrug is almost completely inactive at S1P1R.