anti-BrP-LPA

Ligand id: 6987

Name: anti-BrP-LPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 20
Topological polar surface area 113.87
Molecular weight 486.17
XLogP 6.67
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 Affinity Units Concentration range (M) Reference
LPA1 receptor Hs Antagonist Antagonist 6.1 pKi - 1
pKi 6.1 (Ki 7.52x10-7 M) [1]
LPA1 receptor Hs Antagonist Antagonist 5.7 pIC50 - 1
pIC50 5.7 (IC50 2.079x10-6 M) [1]