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Ligand

NameCHEMBL196534
Molecular formulaC25H27N3O3
IUPAC name1-[[4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight417.509
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsSCHEMBL13415795
BDBM22216
1,2,4-oxadiazole based compound, 33
1-({4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
Inchi KeyAKMFGWWEWTVUTP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O3/c29-25(30)22-15-28(16-22)14-17-6-8-20(9-7-17)23-26-24(31-27-23)21-12-10-19(11-13-21)18-4-2-1-3-5-18/h6-13,18,22H,1-5,14-16H2,(H,29,30)
PubChem CID9979368
ChEMBLCHEMBL196534
IUPHARN/A
BindingDB22216
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
7681Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
7680Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
7679Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
7682Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
7683Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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