VPC12249

Ligand id: 2909

Name: VPC12249

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 25
Topological polar surface area 114.9
Molecular weight 601.35
XLogP 9.57
No. Lipinski's rules broken 2

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 Value Parameter Concentration range (M) Reference
LPA3 receptor Hs Antagonist Antagonist 6.4 pKi - 2
pKi 6.4 [2]
LPA1 receptor Mm Antagonist Antagonist 5.2 – 6.9 pKi - 2
pKi 5.2 – 6.9 (Ki 5.7x10-6 – 1.37x10-7 M) [2]
S1P3 receptor Hs Agonist Agonist 6.5 pEC50 - 1
pEC50 6.5 [1]
LPA3 receptor Hs Antagonist Antagonist 5.2 – 6.4 pIC50 - 2-3
pIC50 5.2 – 6.4 (IC50 6.4x10-6 – 4.28x10-7 M) [2-3]
Ligand mentioned in the following text fields