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Ligand

NameCHEMBL102918
Molecular formulaC28H29N5O2
IUPAC nameN-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
Molecular weight467.573
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsN-[1-Phenyl-3-oxo-3-[4-[cyano(2-methyl-3-pyridyl)methyl]piperazin-1-yl]propyl]benzamide
SCHEMBL9575102
BDBM50045970
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-benzamide
Inchi KeyBXCOOIWGIWUNQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N5O2/c1-21-24(13-8-14-30-21)26(20-29)32-15-17-33(18-16-32)27(34)19-25(22-9-4-2-5-10-22)31-28(35)23-11-6-3-7-12-23/h2-14,25-26H,15-19H2,1H3,(H,31,35)
PubChem CID10344522
ChEMBLCHEMBL102918
IUPHARN/A
BindingDB50045970
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
34963Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341
34964Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
34965Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341

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