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Ligand

NameMLS001161505
Molecular formulaC23H24F4N4O4
IUPAC name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
Molecular weight496.463
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.1
SynonymsCHEMBL1473524
MolPort-004-147-832
HMS3034H10
REGID_for_CID_16285167
ZINC23295591
[ Show all ]
Inchi KeyAGWMRDVJTVHPCK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24F4N4O4/c1-30(13-20(32)29-18-5-3-17(24)4-6-18)21(33)14-35-22(34)15-8-10-31(11-9-15)19-7-2-16(12-28-19)23(25,26)27/h2-7,12,15H,8-11,13-14H2,1H3,(H,29,32)
PubChem CID16285167
ChEMBLCHEMBL1473524
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
5293Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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