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Ligand

NameMLS000072765
Molecular formulaC23H26N4O4S
IUPAC name7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
Molecular weight454.545
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsSMR000009991
7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
7-[2-Hydroxy-3-(naphthalen-1-yloxy)-propyl]-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
AC1LCTK8
[ Show all ]
Inchi KeyAEZZDPHKXMCIQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O4S/c1-14(2)13-32-23-24-20-19(21(29)25-22(30)26(20)3)27(23)11-16(28)12-31-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16,28H,11-13H2,1-3H3,(H,25,29,30)
PubChem CID655809
ChEMBLCHEMBL1299291
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
3982Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
3983Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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