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Ligand

NameCHEMBL119256
Molecular formulaC18H32NO3P
IUPAC name3-[(4-octylphenyl)methylamino]propylphosphonic acid
Molecular weight341.432
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.6
SynonymsSCHEMBL14195630
[3-(4-Octyl-benzylamino)-propyl]-phosphonic acid
BDBM50148418
Inchi KeyHXDPHSXYLHIVSE-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H32NO3P/c1-2-3-4-5-6-7-9-17-10-12-18(13-11-17)16-19-14-8-15-23(20,21)22/h10-13,19H,2-9,14-16H2,1H3,(H2,20,21,22)
PubChem CID10149985
ChEMBLCHEMBL119256
IUPHARN/A
BindingDB50148418
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
126104Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
126105Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
126103Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
126106Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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