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Ligand

NameCHEMBL106098
Molecular formulaC27H35BrN4O3
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
Molecular weight543.506
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
Synonyms{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone
BDBM50104941
Methanone, (4-bromophenyl)[1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-methyloxime, (Z)-
[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone
Inchi KeyUIJWAUWNFOKGHC-XLVZBRSZSA-N
Inchi IDInChI=1S/C27H35BrN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3/b29-25+
PubChem CID9574356
ChEMBLCHEMBL106098
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
337534C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
337535C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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