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Ligand

NameCHEMBL150161
Molecular formulaC20H21ClFNO2
IUPAC name4-[3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular weight361.841
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
Synonyms(+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
(+)-4-{3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl}-1-(4-fluorophenyl)butan-1-one
(-)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
(-)-4-{3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl}-1-(4-fluorophenyl)butan-1-one
4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
[ Show all ]
Inchi KeyBETHXCLHMRGYBW-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2
PubChem CID9906978
ChEMBLCHEMBL150161
IUPHARN/A
BindingDB50185474
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
218985-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
218945-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
218935-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
21899Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
21896Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
21897Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
21890Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
21900Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
21889D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
21895D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
21891D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
21892Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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