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Ligand

NameCHEMBL241052
Molecular formulaC21H20N4O4
IUPAC name3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-yl]propanoic acid
Molecular weight392.415
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.1
SynonymsSCHEMBL4358925
3-(5-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl}-6-methylpyridin-2-yl)propanoic acid
3-arylpropionic acid derivative, 14
BDBM22226
Inchi KeyBCEWGYMSWUUCKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N4O4/c1-12(2)28-18-8-4-14(10-15(18)11-22)21-24-20(25-29-21)17-7-5-16(23-13(17)3)6-9-19(26)27/h4-5,7-8,10,12H,6,9H2,1-3H3,(H,26,27)
PubChem CID24825339
ChEMBLCHEMBL241052
IUPHARN/A
BindingDB22226
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
20105Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
20104Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
20107Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
20106Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
20108Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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