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Ligand

NameMLS003130083
Molecular formulaC29H34FN3O3
IUPAC name(2R,3R)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Molecular weight491.607
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsSMR001834529
BRD-K55436494-001-01-6
CHEMBL1902139
BRD-K55436494-001-02-4
Inchi KeyAAZZFNITWADITL-BUEREQSYSA-N
Inchi IDInChI=1S/C29H34FN3O3/c1-19-9-5-7-11-24(19)23-13-25-28(31-14-23)36-27(20(2)15-33(29(25)35)21(3)18-34)17-32(4)16-22-10-6-8-12-26(22)30/h5-14,20-21,27,34H,15-18H2,1-4H3/t20-,21+,27+/m1/s1
PubChem CID46903444
ChEMBLCHEMBL1902139
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
678Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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