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Ligand

NameCHEMBL338310
Molecular formulaC21H26N2O
IUPAC name5-(1H-indol-3-yl)-6-piperidin-1-ylbicyclo[2.2.2]octan-2-one
Molecular weight322.452
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50012981
5-(1H-Indol-3-yl)-6-piperidin-1-yl-bicyclo[2.2.2]octan-2-one
Inchi KeySQIRNABIBUHYJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N2O/c24-19-12-14-8-9-16(19)21(23-10-4-1-5-11-23)20(14)17-13-22-18-7-3-2-6-15(17)18/h2-3,6-7,13-14,16,20-22H,1,4-5,8-12H2
PubChem CID44351485
ChEMBLCHEMBL338310
IUPHARN/A
BindingDB50012981
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
3206535-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421

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