dodecylphosphate   

GtoPdb Ligand ID: 4031

Synonyms: dodecanol phosphate | FAP-12 | FAP12 | lauryl phosphate
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 82.23
Molecular weight 264.15
XLogP 4.17
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCCCCCOP(=O)([O-])[O-]
Isomeric SMILES CCCCCCCCCCCCOP(=O)([O-])[O-]
InChI InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)/p-2
InChI Key TVACALAUIQMRDF-UHFFFAOYSA-L
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
LPA3 receptor Hs Antagonist Antagonist 7.1 pKi - 1
pKi 7.1 [1]
LPA2 receptor Hs Agonist Full agonist 6.2 pEC50 - 1
pEC50 6.2 (EC50 7x10-7 M) [1]