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Ligand

NameCHEMBL117403
Molecular formulaC18H30NO5P
IUPAC name3-[(4-heptoxycarbonylphenyl)methylamino]propylphosphonic acid
Molecular weight371.414
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP0.3
SynonymsBDBM50148422
SCHEMBL14195650
4-[(3-Phosphono-propylamino)-methyl]-benzoic acid heptyl ester
Inchi KeyPOPQMXAKAVJFNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H30NO5P/c1-2-3-4-5-6-13-24-18(20)17-10-8-16(9-11-17)15-19-12-7-14-25(21,22)23/h8-11,19H,2-7,12-15H2,1H3,(H2,21,22,23)
PubChem CID10215741
ChEMBLCHEMBL117403
IUPHARN/A
BindingDB50148422
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
264962Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
264963Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
264961Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
264960Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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