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Ligand

NameCHEMBL1258530
Molecular formulaC23H21BrN2OS
IUPAC name2-(4-bromophenyl)-N-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]ethanamine
Molecular weight453.398
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50327523
SCHEMBL4785457
2-(4-bromophenyl)-n-((7-methoxy-2-(thiophen-2-yl)quinolin-3-yl)methyl)ethanamine
Inchi KeyDFMVHPGXMMWCLQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21BrN2OS/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3
PubChem CID52948780
ChEMBLCHEMBL1258530
IUPHARN/A
BindingDB50327523
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58696G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
58697G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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