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Ligand

NameCHEMBL514259
Molecular formulaC27H32BrN3O4
IUPAC name3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-(3-hydroxypropyl)benzamide
Molecular weight542.474
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.8
Synonyms(+/-)-3-(1''-(4-bromobenzyl)-2,6-dioxo-3,4''-bipiperidin-3-yl)-N-(3-hydroxypropyl)benzamide
BDBM50292654
SCHEMBL13963001
Inchi KeyBWPJTBPOAWYOJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32BrN3O4/c28-23-7-5-19(6-8-23)18-31-14-10-21(11-15-31)27(12-9-24(33)30-26(27)35)22-4-1-3-20(17-22)25(34)29-13-2-16-32/h1,3-8,17,21,32H,2,9-16,18H2,(H,29,34)(H,30,33,35)
PubChem CID44581162
ChEMBLCHEMBL514259
IUPHARN/A
BindingDB50292654
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34625C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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