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Ligand

NameCHEMBL119413
Molecular formulaC18H31ClNO4P
IUPAC name3-[(3-chloro-4-octoxyphenyl)methylamino]propylphosphonic acid
Molecular weight391.873
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.6
Synonyms[3-(3-Chloro-4-octyloxy-benzylamino)-propyl]-phosphonic acid
BDBM50148421
SCHEMBL14195654
Inchi KeyPCBMXZQDEQINJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H31ClNO4P/c1-2-3-4-5-6-7-12-24-18-10-9-16(14-17(18)19)15-20-11-8-13-25(21,22)23/h9-10,14,20H,2-8,11-13,15H2,1H3,(H2,21,22,23)
PubChem CID10126584
ChEMBLCHEMBL119413
IUPHARN/A
BindingDB50148421
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
256134Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
256135Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
256136Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
256137Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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