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Ligand

NameMLS001030512
Molecular formulaC23H31N3O4S
IUPAC nameN-tert-butyl-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
Molecular weight445.578
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsSMR000635454
CHEMBL1415452
SR-01000147090-3
MolPort-007-950-904
AKOS002120662
[ Show all ]
Inchi KeyABZASAJMRYSAOL-ZHACJKMWSA-N
Inchi IDInChI=1S/C23H31N3O4S/c1-16-6-8-18(9-7-16)10-11-20-21(17(2)25-30-20)31(28,29)26-14-12-19(13-15-26)22(27)24-23(3,4)5/h6-11,19H,12-15H2,1-5H3,(H,24,27)/b11-10+
PubChem CID20969735
ChEMBLCHEMBL1415452
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
1325Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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