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Ligand

NameCHEMBL210578
Molecular formulaC23H25ClFNO2
IUPAC name4-[3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)butan-1-one
Molecular weight401.906
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
SynonymsSCHEMBL9050578
BDBM50185473
4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2.1]octan-8-yl)-1-(4-fluorophenyl)butan-1-one
4-[3-(4-Chloro-phenyl)-3-hydroxy-8-aza-bicyclo[3.2.1]oct-8-yl]-1-(4-fluoro-phenyl)-butan-1-one
4-[3-(4-Chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-(4-fluorophenyl)butan-1-one
Inchi KeyCXQUOFVDYCOSEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
PubChem CID13091268
ChEMBLCHEMBL210578
IUPHARN/A
BindingDB50185473
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: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
530415-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
530395-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
530465-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4438235-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
53047Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
53036Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
53044Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
53043Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
53040Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
53042D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
53038D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
53037D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
443822D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
53045Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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