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Ligand

Name332358-89-1
Molecular formulaC21H23NO4S
IUPAC name2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid
Molecular weight385.478
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
SynonymsCHEMBL1538778
Oprea1_345901
ZINC858886
HMS2633M24
SMR000272708
[ Show all ]
Inchi KeyACPLMNUIXAQIPP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23NO4S/c1-21(2)11-13-9-17(25-3)18(26-4)10-15(13)16(22-21)12-27-19-8-6-5-7-14(19)20(23)24/h5-10H,11-12H2,1-4H3,(H,23,24)
PubChem CID1121308
ChEMBLCHEMBL1538778
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
1764Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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