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Ligand

NameCentpyraquin
Molecular formulaC22H25FN2O
IUPAC name4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)butan-1-one
Molecular weight352.453
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsCHEMBL341774
26049-76-3
AC1L4BAH
BDBM50133928
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)butan-1-one
[ Show all ]
Inchi KeyCDMKFCYALGWSEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FN2O/c23-19-10-7-18(8-11-19)22(26)6-3-13-24-14-15-25-20(16-24)12-9-17-4-1-2-5-21(17)25/h1-2,4-5,7-8,10-11,20H,3,6,9,12-16H2
PubChem CID182600
ChEMBLCHEMBL341774
IUPHARN/A
BindingDB50133928
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39437D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
39436D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
39439D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
39438D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387

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