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Ligand

NameMLS000035540
Molecular formulaC12H14N2OS2
IUPAC name2-ethylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Molecular weight266.377
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsAKOS000281442
2-(ethylthio)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMR000123047
2-ethylthio-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one
HMS2418G12
[ Show all ]
Inchi KeyDPLLLUXBJYFAKR-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14N2OS2/c1-2-16-12-13-10(15)9-7-5-3-4-6-8(7)17-11(9)14-12/h2-6H2,1H3,(H,13,14,15)
PubChem CID767975
ChEMBLCHEMBL567861
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
65726Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
65727Metabotropic glutamate receptor 6O15303GRM6Homo sapiens (Human)877

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