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Ligand

NameCHEMBL3341925
Molecular formulaC23H29N2O6P
IUPAC name[2-amino-2-(hydroxymethyl)-4-[4-[2-(4-propylphenyl)-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
Molecular weight460.467
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.2
SynonymsBDBM50055548
Inchi KeyALDJYICSAXWYET-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N2O6P/c1-2-3-17-6-10-20(11-7-17)22-25-21(14-30-22)19-8-4-18(5-9-19)12-13-23(24,15-26)16-31-32(27,28)29/h4-11,14,26H,2-3,12-13,15-16,24H2,1H3,(H2,27,28,29)
PubChem CID118716147
ChEMBLCHEMBL3341925
IUPHARN/A
BindingDB50055548
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442040Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
442039Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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