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Ligand

NameSetoperone
Molecular formulaC21H24FN3O2S
IUPAC name6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Molecular weight401.5
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.8
Synonyms6-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-7-methyl-5H-thiazolo(3,2-a)pyrimidin-5-one
AC1Q4NI0
CHEMBL2105437
FT-0738877
R 52,245
[ Show all ]
Inchi KeyRBGAHDDQSRBDOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
PubChem CID68604
ChEMBLN/A
IUPHARN/A
BindingDB81814
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
292026Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
292025Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
292024Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
292023Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
556615D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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