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Ligand

NameSCHEMBL5912478
Molecular formulaC24H31FN2O3
IUPAC name4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
Molecular weight414.521
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.2
SynonymsUS8975409, Comparative compound B
CHEMBL3401375
BDBM149711
Inchi KeyQDTNDGDKXXSUJU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31FN2O3/c1-3-18(4-2)17-24(29)12-14-27(15-13-24)23(28)26-20-6-5-7-22(16-20)30-21-10-8-19(25)9-11-21/h5-11,16,18,29H,3-4,12-15,17H2,1-2H3,(H,26,28)
PubChem CID23071856
ChEMBLCHEMBL3401375
IUPHARN/A
BindingDB149711
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
275741Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
461600Sphingosine 1-phosphate receptor 2P47752S1pr2Rattus norvegicus (Rat)352

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