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Ligand

NameCHEMBL337148
Molecular formulaC21H25NO2S
IUPAC name2-(1-benzylpiperidin-4-yl)-1-(4-methylsulfinylphenyl)ethanone
Molecular weight355.496
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.9
Synonyms2-(1-Benzyl-piperidin-4-yl)-1-(4-methanesulfinyl-phenyl)-ethanone;0.25hydrate
BDBM50002214
SCHEMBL7382593
4'-(Methylsulfinyl)-omega-(1-benzylpiperidin-4-yl)acetophenone
CHEMBL1184177
Inchi KeyFDANJYRCEXIYKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO2S/c1-25(24)20-9-7-19(8-10-20)21(23)15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3
PubChem CID10021122
ChEMBLN/A
IUPHARN/A
BindingDB50002214
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
459913D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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