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Ligand

NameCHEMBL1258877
Molecular formulaC24H22BrN3O2
IUPAC name2-(4-bromophenyl)-N-[(7-methoxy-2-pyridin-3-yloxyquinolin-3-yl)methyl]ethanamine
Molecular weight464.363
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50327529
SCHEMBL4878378
2-(4-bromophenyl)-n-((7-methoxy-2-(pyridin-3-yloxy)quinolin-3-yl)methyl)ethanamine
Inchi KeyFDAIKHFUTBLWCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22BrN3O2/c1-29-21-9-6-18-13-19(15-27-12-10-17-4-7-20(25)8-5-17)24(28-23(18)14-21)30-22-3-2-11-26-16-22/h2-9,11,13-14,16,27H,10,12,15H2,1H3
PubChem CID52943980
ChEMBLCHEMBL1258877
IUPHARN/A
BindingDB50327529
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
75413G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
75414G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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