compound 16 [PMID: 26794040]

Ligand id: 9223

Name: compound 16 [PMID: 26794040]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 108.33
Molecular weight 550.25
XLogP 6.61
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Binding IC50s for S1P1, S1P3, S1P4 and S1P5 receptors are all >10000nM [1].
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
S1P2 receptor Antagonist Antagonist 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.2x10-9 M) [1]