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 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
LPA3 receptor Mm Antagonist Antagonist 7.9 pKi - 1
pKi 7.9 (Ki 1.3x10-8 M) [1]
LPA2 receptor Mm Agonist Partial agonist 6.0 pEC50 - 1
pEC50 6.0 (EC50 1x10-6 M) [1]