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Ligand

NameCHEMBL497396
Molecular formulaC26H31BrN2O3
IUPAC name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-(2-methoxyethyl)-3-phenylpiperidine-2,6-dione
Molecular weight499.449
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50292663
(+/-)-1''-(4-bromobenzyl)-1-(2-methoxyethyl)-3-phenyl-3,4''-bipiperidine-2,6-dione
Inchi KeyBIKSUAIHZAPQMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31BrN2O3/c1-32-18-17-29-24(30)11-14-26(25(29)31,21-5-3-2-4-6-21)22-12-15-28(16-13-22)19-20-7-9-23(27)10-8-20/h2-10,22H,11-19H2,1H3
PubChem CID44580860
ChEMBLCHEMBL497396
IUPHARN/A
BindingDB50292663
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24515C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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