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Ligand

NameCHEMBL362053
Molecular formulaC36H57N2O7P
IUPAC name[(2R)-3-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight660.833
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP8.4
SynonymsBDBM50149997
Phosphoric acid mono-[3-[4-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethoxy)-phenyl]-2-((Z)-(R)-octadec-9-enoylamino)-propyl] ester
Inchi KeyIXNPTKKSRPZDOX-RJPFEDOUSA-N
Inchi IDInChI=1S/C36H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(39)38-32(27-45-46(40,41)42)25-31-21-23-33(24-22-31)44-28-34-30(3)36(43-4)29(2)26-37-34/h12-13,21-24,26,32H,5-11,14-20,25,27-28H2,1-4H3,(H,38,39)(H2,40,41,42)/b13-12-/t32-/m1/s1
PubChem CID44392796
ChEMBLCHEMBL362053
IUPHARN/A
BindingDB50149997
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
144144Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
144143Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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