compound 5c [PMID: 27894870]

Ligand id: 9495

Name: compound 5c [PMID: 27894870]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 77.57
Molecular weight 375.13
XLogP 7.46
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

Bioactivity Comments
Compound 5c is selective for S1P4R in biochemical and cellular assays [1].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
S1P4 receptor Hs Agonist Agonist 6.7 – 6.8 pEC50 - 1
pEC50 6.8 (EC50 1.54x10-7 M) [1]
Description: In a cAMP assay.
pEC50 6.7 (EC50 2x10-7 M) [1]
Description: In a GTPγS binding assay.