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Ligand

NameCHEMBL418997
Molecular formulaC31H42BrN3O2
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight568.6
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP7.0
Synonyms[4-[4-[(Z)-C-(4-bromophenyl)-N-tert-butoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone
1,4'-Bipiperidine, 4-[(Z)-(4-bromophenyl)[(1,1-dimethylethoxy)imino]methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-
{4-[(4-Bromo-phenyl)-tert-butoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone
BDBM50115529
Inchi KeyRYDCEMWPUOVZIA-PJJLUWSFSA-N
Inchi IDInChI=1S/C31H42BrN3O2/c1-22-8-7-9-23(2)27(22)29(36)34-20-16-31(6,17-21-34)35-18-14-25(15-19-35)28(33-37-30(3,4)5)24-10-12-26(32)13-11-24/h7-13,25H,14-21H2,1-6H3/b33-28+
PubChem CID9579313
ChEMBLCHEMBL418997
IUPHARN/A
BindingDB50115529
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
307977C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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