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Ligand

NameSMR001217115
Molecular formulaC28H28F4N2O7
IUPAC namemethyl (3aR,4S,9aS,9bS)-4-[4-(4-fluorophenyl)-3-methoxyphenyl]-2-methyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate;2,2,2-trifluoroacetic acid
Molecular weight580.533
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogPNone
SynonymsMLS001362049
MLS003117815
CHEMBL1520742
HMS2225O04
Inchi KeyAACTWTRZMXFZKN-CPNWZACFSA-N
Inchi IDInChI=1S/C26H27FN2O5.C2HF3O2/c1-28-23(30)20-21(24(28)31)26(25(32)34-3)12-4-5-13-29(26)22(20)16-8-11-18(19(14-16)33-2)15-6-9-17(27)10-7-15;3-2(4,5)1(6)7/h6-11,14,20-22H,4-5,12-13H2,1-3H3;(H,6,7)/t20-,21-,22-,26+;/m1./s1
PubChem CID24981354
ChEMBLCHEMBL1520742
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
65Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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