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Ligand

NameCHEMBL397538
Molecular formulaC16H19N2O2+
IUPAC name2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)but-2-ynyl]-1,2-oxazolidin-3-one
Molecular weight271.34
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.1
SynonymsBDBM50223175
2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl]isoxazolidin-3-one oxalate
Inchi KeyASEHPFCAYHRBOZ-UHFFFAOYSA-O
Inchi IDInChI=1S/C16H18N2O2/c19-16-8-12-20-18(16)10-4-3-9-17-11-7-14-5-1-2-6-15(14)13-17/h1-2,5-6H,7-13H2/p+1
PubChem CID91935642
ChEMBLN/A
IUPHARN/A
BindingDB50223175
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
13060Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
13059Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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