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Ligand

NameCHEMBL247699
Molecular formulaC20H34NO5P
IUPAC name[(2S,4S,5R)-5-(hydroxymethyl)-4-(4-octylphenyl)pyrrolidin-2-yl]methyl dihydrogen phosphate
Molecular weight399.468
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.1
SynonymsN/A
Inchi KeyDKHSWCUVNLYVPR-UFYCRDLUSA-N
Inchi IDInChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m0/s1
PubChem CID44438260
ChEMBLCHEMBL247699
IUPHARN/A
BindingDB50197424
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
62269Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
62270Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
62272Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
62271Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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