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Ligand

NameCHEMBL193196
Molecular formulaC21H42FO6P
IUPAC name[(3S)-1-fluoro-4-hexadecanoyloxy-3-methoxybutyl]phosphonic acid
Molecular weight440.533
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.4
SynonymsBDBM50166120
Hexadecanoic acid (2S)-2-methoxy-4-fluoro-4-phosphonobutyl ester
Hexadecanoic acid (S)-4-fluoro-2-methoxy-4-phosphono-butyl ester
Inchi KeyAXYAECHUOCJWMS-XJDOXCRVSA-N
Inchi IDInChI=1S/C21H42FO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)28-18-19(27-2)17-20(22)29(24,25)26/h19-20H,3-18H2,1-2H3,(H2,24,25,26)/t19-,20?/m0/s1
PubChem CID44400374
ChEMBLCHEMBL193196
IUPHARN/A
BindingDB50166120
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
17213Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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