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Ligand

NameMLS001080910
Molecular formulaC26H32N2O6
IUPAC name(E)-3-(4-butoxy-3-methoxyphenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide
Molecular weight468.55
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsCHEMBL1409820
HMS3022C21
ZINC13012764
AKOS016865224
SMR000706953
Inchi KeyABDRFKOUGQAFHB-XYOKQWHBSA-N
Inchi IDInChI=1S/C26H32N2O6/c1-4-6-13-32-21-10-7-19(16-23(21)31-3)8-12-26(30)28(5-2)18-25(29)27-20-9-11-22-24(17-20)34-15-14-33-22/h7-12,16-17H,4-6,13-15,18H2,1-3H3,(H,27,29)/b12-8+
PubChem CID24978992
ChEMBLCHEMBL1409820
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
758Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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