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Ligand

NameCHEMBL3121960
Molecular formulaC26H32N2O4S
IUPAC name3-[2-ethyl-4-[5-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propanoic acid
Molecular weight468.612
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.7
SynonymsN/A
Inchi KeyASGACAJDKCOUPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N2O4S/c1-6-16-13-17(12-15(3)22(16)31-11-9-21(29)30)24-27-25(32-28-24)23-18-8-10-26(4,5)14-19(18)20(7-2)33-23/h12-13H,6-11,14H2,1-5H3,(H,29,30)
PubChem CID76318055
ChEMBLCHEMBL3121960
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13106Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
13107Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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