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Ligand

NameCHEMBL195141
Molecular formulaC23H25N3O3
IUPAC name1-[[4-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight391.471
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.0
SynonymsSCHEMBL4739441
1-({4-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
1,2,4-oxadiazole based compound, 21
BDBM22204
Inchi KeyBUBRUGRTGCDHOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-17(9-11-19)21-24-20(25-29-21)16-6-4-15(5-7-16)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)
PubChem CID10249887
ChEMBLCHEMBL195141
IUPHARN/A
BindingDB22204
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32887Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
32891Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
32888Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
32890Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
32889Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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