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Ligand

NameCHEMBL100853
Molecular formulaC21H25N5O
IUPAC name2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight363.465
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.9
Synonyms[4-[3-Phenyl-1-oxo-3-aminopropyl]piperazin-1-yl](2-methyl-3-pyridyl)acetonitrile
BDBM50046005
SCHEMBL9129835
[4-(3-Amino-3-phenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
Inchi KeyHEHIASJYLABZLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25N5O/c1-16-18(8-5-9-24-16)20(15-22)25-10-12-26(13-11-25)21(27)14-19(23)17-6-3-2-4-7-17/h2-9,19-20H,10-14,23H2,1H3
PubChem CID10316662
ChEMBLCHEMBL100853
IUPHARN/A
BindingDB50046005
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
112740Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341
112741Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341
112742Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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