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Ligand

NameCHEMBL136789
Molecular formulaC21H25NOS
IUPAC name2-(1-benzylpiperidin-4-yl)-1-(4-methylsulfanylphenyl)ethanone
Molecular weight339.497
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.3
Synonyms2-(1-Benzyl-piperidin-4-yl)-1-(4-methylsulfanyl-phenyl)-ethanone
BDBM50002226
SCHEMBL7384165
4'-(Methylthio)-omega-(1-benzylpiperidin-4-yl)acetophenone
Inchi KeyCQTIFTMVBRSADW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NOS/c1-24-20-9-7-19(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 CID10020103
ChEMBLCHEMBL136789
IUPHARN/A
BindingDB50002226
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
48385D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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