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Ligand

NameCHEMBL317183
Molecular formulaC34H40BrN3O2
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-phenylmethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight602.617
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP7.5
SynonymsBDBM50115547
{4-[Benzyloxyimino-(4-bromo-phenyl)-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone
Inchi KeyHUNRBJJETGRXCS-WIKZRCHHSA-N
Inchi IDInChI=1S/C34H40BrN3O2/c1-25-8-7-9-26(2)31(25)33(39)37-22-18-34(3,19-23-37)38-20-16-29(17-21-38)32(28-12-14-30(35)15-13-28)36-40-24-27-10-5-4-6-11-27/h4-15,29H,16-24H2,1-3H3/b36-32+
PubChem CID44337315
ChEMBLCHEMBL317183
IUPHARN/A
BindingDB50115547
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
124466C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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