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Ligand

NameCHEMBL337629
Molecular formulaC12H14O3S2
IUPAC namemethyl 3-ethylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
Molecular weight270.361
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50048456
3-Ethylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid methyl ester
Inchi KeyAQZHEAZCWFBFJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14O3S2/c1-3-16-12-9-7(5-4-6-8(9)13)10(17-12)11(14)15-2/h3-6H2,1-2H3
PubChem CID44353048
ChEMBLCHEMBL337629
IUPHARN/A
BindingDB50048456
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
12230Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
12231Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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