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Ligand

NameCHEMBL423891
Molecular formulaC20H20N4O
IUPAC name2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile
Molecular weight332.407
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.0
SynonymsBDBM50003549
SCHEMBL9852998
2-[4-(3-Phenyl-1-oxo-2-propenyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile
[4-(3-Phenyl-acryloyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
Inchi KeyKWLHBPRKPZDBEA-CMDGGOBGSA-N
Inchi IDInChI=1S/C20H20N4O/c21-15-19(18-7-4-10-22-16-18)23-11-13-24(14-12-23)20(25)9-8-17-5-2-1-3-6-17/h1-10,16,19H,11-14H2/b9-8+
PubChem CID9996872
ChEMBLCHEMBL423891
IUPHARN/A
BindingDB50003549
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
179930Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
179931Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341
179932Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341

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