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Ligand

NameCHEMBL106573
Molecular formulaC33H38BrN3O2
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-phenoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight588.59
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP7.6
SynonymsBDBM50115525
[4-[4-[(Z)-C-(4-bromophenyl)-N-phenoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone
1,4'-Bipiperidine, 4-[(Z)-(4-bromophenyl)(phenoxyimino)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-
{4-[(4-Bromo-phenyl)-phenoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone
Inchi KeyYPMFIWOXCFWBQO-JSLDZMDGSA-N
Inchi IDInChI=1S/C33H38BrN3O2/c1-24-8-7-9-25(2)30(24)32(38)36-22-18-33(3,19-23-36)37-20-16-27(17-21-37)31(26-12-14-28(34)15-13-26)35-39-29-10-5-4-6-11-29/h4-15,27H,16-23H2,1-3H3/b35-31+
PubChem CID9579317
ChEMBLCHEMBL106573
IUPHARN/A
BindingDB50115525
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
416055C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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