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Ligand

NameMLS002474442
Molecular formulaC31H36F3N5O4
IUPAC name1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea
Molecular weight599.655
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.6
SynonymsHMS2199N09
CHEMBL1709270
SMR001398603
BRD-K50392506-001-01-2
Inchi KeyAGQRDMGTSVKJPI-GTNJKRJXSA-N
Inchi IDInChI=1S/C31H36F3N5O4/c1-20-16-39(21(2)19-40)29(41)15-23-14-26(37-30(42)36-25-6-4-24(5-7-25)31(32,33)34)8-9-27(23)43-28(20)18-38(3)17-22-10-12-35-13-11-22/h4-14,20-21,28,40H,15-19H2,1-3H3,(H2,36,37,42)/t20-,21+,28-/m0/s1
PubChem CID44202669
ChEMBLCHEMBL1709270
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5128Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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