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Ligand

NameCHEMBL105784
Molecular formulaC26H32BrClN4O2
IUPAC name(2-amino-6-chlorophenyl)-[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight547.922
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.8
Synonyms(2-amino-6-chloro-phenyl)-[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
BDBM50104936
Methanone, [1'-(2-amino-6-chlorobenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl](4-bromophenyl)-, O-methyloxime, (Z)-
(2-Amino-6-chloro-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone
Inchi KeyKHXJCLMSOWKPMR-BGABXYSRSA-N
Inchi IDInChI=1S/C26H32BrClN4O2/c1-26(12-16-31(17-13-26)25(33)23-21(28)4-3-5-22(23)29)32-14-10-19(11-15-32)24(30-34-2)18-6-8-20(27)9-7-18/h3-9,19H,10-17,29H2,1-2H3/b30-24+
PubChem CID9574358
ChEMBLCHEMBL105784
IUPHARN/A
BindingDB50104936
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
169555C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354
169556C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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