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Ligand

NameCHEMBL109008
Molecular formulaC30H40BrN3O2
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-propan-2-yloxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight554.573
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.8
SynonymsBDBM50115550
[4-[4-[(Z)-C-(4-bromophenyl)-N-isopropoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone
1,4'-Bipiperidine, 4-[(Z)-(4-bromophenyl)[(1-methylethoxy)imino]methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-
{4-[(4-Bromo-phenyl)-isopropoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone
Inchi KeyXEXZQYWUVMECQG-VEWQFJOQSA-N
Inchi IDInChI=1S/C30H40BrN3O2/c1-21(2)36-32-28(24-9-11-26(31)12-10-24)25-13-17-34(18-14-25)30(5)15-19-33(20-16-30)29(35)27-22(3)7-6-8-23(27)4/h6-12,21,25H,13-20H2,1-5H3/b32-28+
PubChem CID9579314
ChEMBLCHEMBL109008
IUPHARN/A
BindingDB50115550
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
390092C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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