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Ligand

NameMLS001361981
Molecular formulaC28H30F4N2O6
IUPAC namemethyl (1S,3R,3aS,6aR)-5-ethyl-1-[4-(4-fluorophenyl)phenyl]-3-(2-methylpropyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid
Molecular weight566.55
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogPNone
SynonymsCHEMBL1433830
HMS2205P19
SMR000814369
Inchi KeyAADJXEUFMXQSPA-PLRPEPICSA-N
Inchi IDInChI=1S/C26H29FN2O4.C2HF3O2/c1-5-29-23(30)20-21(24(29)31)26(14-15(2)3,25(32)33-4)28-22(20)18-8-6-16(7-9-18)17-10-12-19(27)13-11-17;3-2(4,5)1(6)7/h6-13,15,20-22,28H,5,14H2,1-4H3;(H,6,7)/t20-,21-,22-,26-;/m1./s1
PubChem CID24892309
ChEMBLCHEMBL1433830
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
107Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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