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Ligand

Name172516-44-8
Molecular formulaC17H24O3S2
IUPAC nameethyl 3-butan-2-ylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
Molecular weight340.496
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.3
SynonymsC-55419
ethyl 6,6-dimethyl-4-oxo-3-(sec-butylsulfanyl)-5,7-dihydro-2-benzothiophene-1-carboxylate
AC1MCTY7
CHEMBL2112673
KB-77058
[ Show all ]
Inchi KeyAMPIBRMRXUZXOA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24O3S2/c1-6-10(3)21-16-13-11(8-17(4,5)9-12(13)18)14(22-16)15(19)20-7-2/h10H,6-9H2,1-5H3
PubChem CID2778735
ChEMBLCHEMBL2112673
IUPHARN/A
BindingDB50454295
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
9128Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
9129Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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