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Ligand

NameCHEMBL182446
Molecular formulaC36H57N2O8P
IUPAC name[(2R)-3-[4-[[4-(2-methoxyethoxy)pyridin-2-yl]methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight676.832
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP7.5
SynonymsBDBM50150000
Phosphoric acid mono-[(R)-3-{4-[4-(2-methoxy-ethoxy)-pyridin-2-ylmethoxy]-phenyl}-2-((Z)-octadec-9-enoylamino)-propyl] ester
Inchi KeyCSFMYMIHKKPMPF-NFYUYZAESA-N
Inchi IDInChI=1S/C36H57N2O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36(39)38-33(30-46-47(40,41)42)27-31-19-21-34(22-20-31)45-29-32-28-35(23-24-37-32)44-26-25-43-2/h10-11,19-24,28,33H,3-9,12-18,25-27,29-30H2,1-2H3,(H,38,39)(H2,40,41,42)/b11-10-/t33-/m1/s1
PubChem CID44392795
ChEMBLCHEMBL182446
IUPHARN/A
BindingDB50150000
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
49424Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
49425Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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