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Ligand

NameCHEMBL102070
Molecular formulaC27H28N6O2
IUPAC nameN-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]pyridine-3-carboxamide
Molecular weight468.561
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.7
SynonymsSCHEMBL9575078
BDBM50045990
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-nicotinamide
N-[1-Phenyl-3-oxo-3-[4-[cyano(2-methyl-3-pyridyl)methyl]piperazin-1-yl]propyl]pyridine-3-carboxamide
Inchi KeyBVEQCHOPJBXACS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N6O2/c1-20-23(10-6-12-30-20)25(18-28)32-13-15-33(16-14-32)26(34)17-24(21-7-3-2-4-8-21)31-27(35)22-9-5-11-29-19-22/h2-12,19,24-25H,13-17H2,1H3,(H,31,35)
PubChem CID10457336
ChEMBLCHEMBL102070
IUPHARN/A
BindingDB50045990
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
33660Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341
33661Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
33662Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341

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