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Ligand

NameSMR000009624
Molecular formulaC16H26N4O2S
IUPAC name7-hexyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
Molecular weight338.47
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
Synonyms7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
7-hexyl-8-(isobutylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
332033-51-9
AC1LDAW9
MLS000077296
[ Show all ]
Inchi KeyACRRTNCMXDOPHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H26N4O2S/c1-5-6-7-8-9-20-12-13(17-16(20)23-10-11(2)3)19(4)15(22)18-14(12)21/h11H,5-10H2,1-4H3,(H,18,21,22)
PubChem CID645186
ChEMBLCHEMBL1576529
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1851Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1850Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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