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Ligand

NameCHEMBL443999
Molecular formulaC27H35BrN4O2
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2-methylpyridin-3-yl)methanone
Molecular weight527.507
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50115519
Pyridine, 3-[[4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2-methyl-
4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-4''-methyl-1''-[(2-methyl-3-pyridinyl)carbonyl]-1,4''-bipiperidine
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2-methyl-3-pyridyl)methanone
{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2-methyl-pyridin-3-yl)-methanone
Inchi KeyGXJXVSDXVMSAIP-QCWLDUFUSA-N
Inchi IDInChI=1S/C27H35BrN4O2/c1-4-34-30-25(21-7-9-23(28)10-8-21)22-11-16-32(17-12-22)27(3)13-18-31(19-14-27)26(33)24-6-5-15-29-20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b30-25+
PubChem CID9579318
ChEMBLCHEMBL443999
IUPHARN/A
BindingDB50115519
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
107692C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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