amiselimod phosphate

Ligand id: 9491

Name: amiselimod phosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 132.05
Molecular weight 457.18
XLogP 3.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
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Target Sp. Type Action Affinity Units Concentration range (M) Reference
S1P1 receptor Hs Agonist Agonist 10.1 pEC50 - 1
pEC50 10.1 (EC50 7.5x10-11 M) [1]
Description: In an intracellular Ca2+ mobilization assay.