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Ligand

NameCHEMBL99833
Molecular formulaC22H26N4O2
IUPAC name2-[4-(3-hydroxy-3-phenylbutanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight378.476
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM50045958
SCHEMBL9574978
[4-(3-Hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
Inchi KeyKNNXUNISNZGBDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N4O2/c1-17-19(9-6-10-24-17)20(16-23)25-11-13-26(14-12-25)21(27)15-22(2,28)18-7-4-3-5-8-18/h3-10,20,28H,11-15H2,1-2H3
PubChem CID10474804
ChEMBLCHEMBL99833
IUPHARN/A
BindingDB50045958
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
173537Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341
173538Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
173539Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341

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