dodecyl-thiophosphate

Ligand id: 6990

Name: dodecyl-thiophosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 91.59
Molecular weight 282.14
XLogP 6.13
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 mouse GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
LPA3 receptor Antagonist Antagonist 7.9 pKi - 1
pKi 7.9 (Ki 1.3x10-8 M) [1]
LPA2 receptor Agonist Partial agonist 6.0 pEC50 - 1
pEC50 6.0 (EC50 1x10-6 M) [1]