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Ligand

NameSCHEMBL2294162
Molecular formulaC25H33N3O5S
IUPAC nameN-[3-[4-[5-[3,5-dimethyl-4-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight487.615
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.3
SynonymsCHEMBL3121966
Inchi KeyAXAPDELCHKZJAZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N3O5S/c1-13(2)7-20-16(5)23(34-17(20)6)25-27-24(28-33-25)18-8-14(3)22(15(4)9-18)32-12-19(30)10-26-21(31)11-29/h8-9,13,19,29-30H,7,10-12H2,1-6H3,(H,26,31)
PubChem CID16657820
ChEMBLCHEMBL3121966
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16505Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
16506Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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