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Ligand

NameMLS000678714
Molecular formulaC17H18BrNO4
IUPAC name(5-bromofuran-2-yl)-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
Molecular weight380.238
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.7
SynonymsAC1MELTJ
(5-bromo-2-furanyl)-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
Oprea1_632419
(5-bromofuran-2-yl)-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
HMS2550C03
[ Show all ]
Inchi KeyADNJEBVHGYYVSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18BrNO4/c1-10-12-9-15(22-3)14(21-2)8-11(12)6-7-19(10)17(20)13-4-5-16(18)23-13/h4-5,8-10H,6-7H2,1-3H3
PubChem CID2905396
ChEMBLCHEMBL1431893
IUPHARN/A
BindingDBN/A
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
463220Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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