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Ligand

NameSCHEMBL461450
Molecular formulaC27H31ClN2O4
IUPAC name(2S)-3-[4-[5-[(E)-2-[1-(4-chlorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propane-1,2-diol
Molecular weight483.005
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.7
SynonymsUS8822510, 52
CHEMBL3676127
BDBM130391
Inchi KeyAOBIJMKGHOOWGX-YYVWFHOOSA-N
Inchi IDInChI=1S/C27H31ClN2O4/c1-18-14-20(15-19(2)25(18)33-17-23(32)16-31)26-29-24(34-30-26)10-13-27(11-4-3-5-12-27)21-6-8-22(28)9-7-21/h6-10,13-15,23,31-32H,3-5,11-12,16-17H2,1-2H3/b13-10+/t23-/m0/s1
PubChem CID56644792
ChEMBLCHEMBL3676127
IUPHARN/A
BindingDB130391
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10093Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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