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Ligand

NameCHEMBL138281
Molecular formulaC21H21F4NO
IUPAC name1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone
Molecular weight379.399
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50002250
1-(4-Fluoro-phenyl)-2-[1-(4-trifluoromethyl-benzyl)-piperidin-4-yl]-ethanone
Inchi KeyAUNWVXAXWYVOSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2
PubChem CID10429790
ChEMBLCHEMBL138281
IUPHARN/A
BindingDB50002250
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
14820D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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