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Ligand

NameCHEMBL322267
Molecular formulaC27H35BrN4O3
IUPAC name3-[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
Molecular weight543.506
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
Synonyms{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2-hydroxy-4-methyl-pyridin-3-yl)-methanone
BDBM50115515
Pyridine, 3-[[4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2-hydroxy-4-methyl-
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2-hydroxy-4-methyl-3-pyridyl)methanone
Inchi KeyUDYZLBDATCUMND-BGABXYSRSA-N
Inchi IDInChI=1S/C27H35BrN4O3/c1-4-35-30-24(20-5-7-22(28)8-6-20)21-10-15-32(16-11-21)27(3)12-17-31(18-13-27)26(34)23-19(2)9-14-29-25(23)33/h5-9,14,21H,4,10-13,15-18H2,1-3H3,(H,29,33)/b30-24+
PubChem CID9579322
ChEMBLCHEMBL322267
IUPHARN/A
BindingDB50115515
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
334563C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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