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Ligand

NameCHEMBL136388
Molecular formulaC21H25NO2
IUPAC name2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone
Molecular weight323.436
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms2-(1-Benzyl-piperidin-4-yl)-1-(4-hydroxymethyl-phenyl)-ethanone;0.5hydrate
BDBM50002188
SCHEMBL7382894
4'-(Hydroxymethyl)-omega-(1-benzylpiperidin-4-yl)acetophenone
CHEMBL1180649
Inchi KeyFLJUGLHPEGJBNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO2/c23-16-19-6-8-20(9-7-19)21(24)14-17-10-12-22(13-11-17)15-18-4-2-1-3-5-18/h1-9,17,23H,10-16H2
PubChem CID10019100
ChEMBLN/A
IUPHARN/A
BindingDB50002188
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
459954D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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