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Ligand

NameMLS000624518
Molecular formulaC17H15NO3
IUPAC name7-methyl-1-(2-phenoxyethyl)indole-2,3-dione
Molecular weight281.311
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.9
Synonyms7-methyl-1-(2-phenoxyethyl)isatin
HMS2709I10
VU0336754-2
620932-09-4
BDBM47864
[ Show all ]
Inchi KeyAPZMVIUFGITNIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15NO3/c1-12-6-5-9-14-15(12)18(17(20)16(14)19)10-11-21-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
PubChem CID2145491
ChEMBLCHEMBL1310488
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
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GLASS IDNameUniProtGeneSpeciesLength
11495Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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