[1-bromo-(3S)-hydrox-4-(palmitoyloxy)butyl]phosphate

Ligand id: 6991

Name: [1-bromo-(3S)-hydrox-4-(palmitoyloxy)butyl]phosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 21
Topological polar surface area 102.87
Molecular weight 508.16
XLogP 7.22
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
LPA4 receptor Antagonist Antagonist 6.6 pIC50 - 1
pIC50 6.6 (IC50 2.66x10-7 M) [1]