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Ligand

NameMLS003551879
Molecular formulaC32H48N2O4
IUPAC nameethyl (3S,4aS)-1-octyl-2-oxo-3-[2-oxo-2-(4-phenylbutylamino)ethyl]-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate
Molecular weight524.746
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.5
SynonymsCHEMBL2136326
SMR002202624
Inchi KeyAEXPIEVYJSRRAQ-ZUKKLESISA-N
Inchi IDInChI=1S/C32H48N2O4/c1-3-5-6-7-8-16-23-34-28-20-12-14-21-32(28,31(37)38-4-2)25-27(30(34)36)24-29(35)33-22-15-13-19-26-17-10-9-11-18-26/h9-11,17-18,20,27H,3-8,12-16,19,21-25H2,1-2H3,(H,33,35)/t27-,32+/m1/s1
PubChem CID53299998
ChEMBLCHEMBL2136326
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3942Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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