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Ligand

NameCHEMBL1651707
Molecular formulaC25H21NO4
IUPAC name1-[[4-(5-phenoxy-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight399.446
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsSCHEMBL1602215
BDBM50335453
1-(4-(5-phenoxybenzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
Inchi KeyATEZIISWEVJKMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21NO4/c27-25(28)20-15-26(16-20)14-17-6-8-18(9-7-17)24-13-19-12-22(10-11-23(19)30-24)29-21-4-2-1-3-5-21/h1-13,20H,14-16H2,(H,27,28)
PubChem CID16737511
ChEMBLCHEMBL1651707
IUPHARN/A
BindingDB50335453
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
13894Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
13893Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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