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Ligand

NameCHEMBL324820
Molecular formulaC20H36NO5P
IUPAC name3-[(3-ethoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
Molecular weight401.484
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.3
Synonyms[3-(3-Ethoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acid
BDBM50148431
SCHEMBL14195655
Inchi KeyKSAATBXYGYJAQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H36NO5P/c1-3-5-6-7-8-9-14-26-19-12-11-18(16-20(19)25-4-2)17-21-13-10-15-27(22,23)24/h11-12,16,21H,3-10,13-15,17H2,1-2H3,(H2,22,23,24)
PubChem CID10126736
ChEMBLCHEMBL324820
IUPHARN/A
BindingDB50148431
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
176842Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
176843Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
176844Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
176845Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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