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Ligand

NameCHEMBL118508
Molecular formulaC19H34NO5P
IUPAC name3-[(3-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
Molecular weight387.457
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP0.8
SynonymsBDBM50148429
SCHEMBL14195705
[3-(3-Methoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acid
Inchi KeyAXAGGQQXMQHIFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H34NO5P/c1-3-4-5-6-7-8-13-25-18-11-10-17(15-19(18)24-2)16-20-12-9-14-26(21,22)23/h10-11,15,20H,3-9,12-14,16H2,1-2H3,(H2,21,22,23)
PubChem CID10287343
ChEMBLCHEMBL118508
IUPHARN/A
BindingDB50148429
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
16494Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
16491Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
16493Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
16492Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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