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Ligand

NameCHEMBL107363
Molecular formulaC30H40BrN3O3
IUPAC name[4-[4-[(Z)-C-(4-bromophenyl)-N-(2-methoxyethoxy)carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight570.572
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.9
SynonymsBDBM50115526
{4-[(4-Bromo-phenyl)-(2-methoxy-ethoxyimino)-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone
Inchi KeyBPFLSMSQDIWLJL-VEWQFJOQSA-N
Inchi IDInChI=1S/C30H40BrN3O3/c1-22-6-5-7-23(2)27(22)29(35)33-18-14-30(3,15-19-33)34-16-12-25(13-17-34)28(32-37-21-20-36-4)24-8-10-26(31)11-9-24/h5-11,25H,12-21H2,1-4H3/b32-28+
PubChem CID44337251
ChEMBLCHEMBL107363
IUPHARN/A
BindingDB50115526
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
29506C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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