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Ligand

NameCHEMBL106507
Molecular formulaC29H38BrN3O3
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-(2-hydroxyethoxy)carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight556.545
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50115509
{4-[(4-Bromo-phenyl)-(2-hydroxy-ethoxyimino)-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone
Inchi KeyNJIVNGMVJMWZLI-TVKQRKNISA-N
Inchi IDInChI=1S/C29H38BrN3O3/c1-21-5-4-6-22(2)26(21)28(35)32-17-13-29(3,14-18-32)33-15-11-24(12-16-33)27(31-36-20-19-34)23-7-9-25(30)10-8-23/h4-10,24,34H,11-20H2,1-3H3/b31-27+
PubChem CID44337265
ChEMBLCHEMBL106507
IUPHARN/A
BindingDB50115509
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
224808C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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