octyl thiophosphatidic acid

Ligand id: 6995

Name: octyl thiophosphatidic acid

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 20
Topological polar surface area 110.05
Molecular weight 412.24
XLogP 7.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
LPA5 receptor Rn Agonist Partial agonist 5.7 pEC50 - 1
pEC50 5.7 (EC50 2.1x10-6 M) [1]