Ligand id: 9496

Name: A-971432

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 49.77
Molecular weight 365.06
XLogP 3.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
A-971432 has excellent plasma and CNS exposure after oral dosing in preclinical species, and does not cause bradycardia in rat cardiovascular safety studies (indicationg no activity at S1P3Rs) [2].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
S1P5 receptor Hs Agonist Agonist 8.2 – 8.4 pEC50 - 2
pEC50 8.4 (EC50 4.1x10-9 M) [2]
Description: In a forskolin-induced cAMP inhibition assay in S1P5-transfected CHO cells.
pEC50 8.2 (EC50 5.7x10-9 M) [2]
Description: In a GTPγS assay using membranes from S1P5-transfected HEK293 cells.
S1P1 receptor Hs Agonist Agonist 6.4 pIC50 - 2
pIC50 6.4 (IC50 3.62x10-7 M) [2]