AUY954

Ligand id: 2925

Name: AUY954

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 77.57
Molecular weight 455.12
XLogP 8.51
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
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
S1P1 receptor Mm Agonist Agonist 9.1 pEC50 - 2
pEC50 9.1 (EC50 9x10-10 M) [2]
S1P1 receptor Hs Agonist Agonist 8.9 pEC50 - 2
pEC50 8.9 (EC50 1.2x10-9 M) [2]
S1P5 receptor Mm Agonist Agonist 6.5 pEC50 - 2
pEC50 6.5 [2]
S1P5 receptor Hs Agonist Agonist 6.5 pEC50 - 2
pEC50 6.5 (EC50 3.4x10-7 M) [2]
S1P3 receptor Mm Agonist Agonist 5.9 – 6.0 pEC50 - 1-2
pEC50 5.9 – 6.0 [1-2]
S1P4 receptor Mm Agonist Agonist 5.0 – 6.0 pEC50 - 2
pEC50 5.0 – 6.0 [2]
S1P2 receptor Mm Agonist Agonist 4.7 – 5.0 pEC50 - 2
pEC50 4.7 – 5.0 [2]