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Ligand

NameCHEMBL109158
Molecular formulaC27H35BrN4O2
IUPAC name(2-amino-6-methylphenyl)-[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight527.507
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
Synonyms(2-amino-6-methyl-phenyl)-[4-[4-[(Z)-C-(4-bromophenyl)-N-methoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
BDBM50104938
Methanone, [1'-(2-amino-6-methylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl](4-bromophenyl)-, O-methyloxime, (Z)-
(2-Amino-6-methyl-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone
Inchi KeySIGNOFGQWWUQJS-QCWLDUFUSA-N
Inchi IDInChI=1S/C27H35BrN4O2/c1-19-5-4-6-23(29)24(19)26(33)31-17-13-27(2,14-18-31)32-15-11-21(12-16-32)25(30-34-3)20-7-9-22(28)10-8-20/h4-10,21H,11-18,29H2,1-3H3/b30-25+
PubChem CID9574360
ChEMBLCHEMBL109158
IUPHARN/A
BindingDB50104938
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
315026C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
315027C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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