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Ligand

NamePaliperidone
Molecular formulaC23H27FN4O3
IUPAC name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular weight426.492
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.2
SynonymsCHEBI:83804
(+/-)-3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
I14-1945
3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
KS-1279
[ Show all ]
Inchi KeyPMXMIIMHBWHSKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
PubChem CID115237
ChEMBLCHEMBL1621
IUPHARN/A
BindingDB50252513
DrugBankDB01267

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 53
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
2637045-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2637155-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2636945-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2637015-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
2637165-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2637355-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
2636975-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5565045-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2637395-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2637135-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2637105-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
2636955-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2637025-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
2637325-hydroxytryptamine receptor 7P32304Htr7Mus musculus (Mouse)448
263708Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
263723Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
263717Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
263693Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
263692Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
263709Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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