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Ligand

NameCHEMBL456904
Molecular formulaC24H26BrN3O3
IUPAC name3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzamide
Molecular weight484.394
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50292652
SCHEMBL13962998
(+/-)-3-(1''-(4-bromobenzyl)-2,6-dioxo-3,4''-bipiperidin-3-yl)benzamide
Inchi KeyBNIQGAKMYIPZLJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26BrN3O3/c25-20-6-4-16(5-7-20)15-28-12-9-18(10-13-28)24(11-8-21(29)27-23(24)31)19-3-1-2-17(14-19)22(26)30/h1-7,14,18H,8-13,15H2,(H2,26,30)(H,27,29,31)
PubChem CID44581160
ChEMBLCHEMBL456904
IUPHARN/A
BindingDB50292652
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
28157C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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