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Ligand

NameCHEMBL206940
Molecular formulaC21H21ClN2O4
IUPAC name3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoic acid
Molecular weight400.859
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50186405
3-(4-(5-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
Inchi KeyAOXVYFLXNZEUPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21ClN2O4/c1-12(2)27-18-8-6-15(11-17(18)22)21-23-20(24-28-21)16-7-4-14(10-13(16)3)5-9-19(25)26/h4,6-8,10-12H,5,9H2,1-3H3,(H,25,26)
PubChem CID11603726
ChEMBLCHEMBL206940
IUPHARN/A
BindingDB50186405
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
10696Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
10697Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
10695Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
10698Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
10694Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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