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Ligand

NameCHEMBL107018
Molecular formulaC26H33BrN4O3
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
Molecular weight529.479
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsPyridine, 3-[[4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-, 1-oxide
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(1-oxidopyridin-1-ium-3-yl)methanone
{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(1-oxy-pyridin-3-yl)-methanone
BDBM50115552
Inchi KeyZUXIXEZANWTFBW-ZZIIXHQDSA-N
Inchi IDInChI=1S/C26H33BrN4O3/c1-3-34-28-24(20-6-8-23(27)9-7-20)21-10-15-30(16-11-21)26(2)12-17-29(18-13-26)25(32)22-5-4-14-31(33)19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3/b28-24+
PubChem CID9579323
ChEMBLCHEMBL107018
IUPHARN/A
BindingDBN/A
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
438131C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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