Detailed information for compound 214576

Basic information

Technical information
  • TDR Targets ID: 214576
  • Name: 6-nitro-8-propyl-4,7,9,10-tetrahydro-1H-pyrid o[4,3-f]quinoxaline-2,3-dione
  • MW: 304.301 | Formula: C14H16N4O4
  • H donors: 2 H acceptors: 6 LogP: 1.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN1CCc2c(C1)c(cc1c2nc(O)c(n1)O)[N+](=O)[O-]
  • InChi: 1S/C14H16N4O4/c1-2-4-17-5-3-8-9(7-17)11(18(21)22)6-10-12(8)16-14(20)13(19)15-10/h6H,2-5,7H2,1H3,(H,15,19)(H,16,20)
  • InChiKey: DSMKHUPEQUHVTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-nitro-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate receptor ionotropic, AMPA Starlite/ChEMBL References
Rattus norvegicus Glutamate receptor ionotropic, kainate Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 779 aa 33.4 %
Drosophila melanogaster Glutamate receptor IIB Glutamate receptor ionotropic, AMPA   907 aa 863 aa 27.8 %
Drosophila melanogaster NMDA receptor 2 Glutamate receptor ionotropic, AMPA   907 aa 789 aa 22.1 %
Schistosoma mansoni glutamate receptor kainate Glutamate receptor ionotropic, AMPA   907 aa 753 aa 33.2 %
Drosophila melanogaster Glutamate receptor IA Glutamate receptor ionotropic, AMPA   907 aa 900 aa 40.6 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 809 aa 33.6 %
Onchocerca volvulus Glutamate receptor ionotropic, AMPA   907 aa 796 aa 40.5 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 886 aa 34.2 %
Echinococcus multilocularis glutamate receptor 2 Glutamate receptor ionotropic, AMPA   907 aa 868 aa 30.4 %
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 Glutamate receptor ionotropic, AMPA   907 aa 959 aa 30.9 %
Onchocerca volvulus Putative 39S ribosomal protein L45, mitochondrial Glutamate receptor ionotropic, AMPA   907 aa 799 aa 37.7 %
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 Glutamate receptor ionotropic, AMPA   907 aa 948 aa 30.6 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 888 aa 34.0 %
Echinococcus granulosus glutamate receptor 2 Glutamate receptor ionotropic, AMPA   907 aa 875 aa 30.4 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 779 aa 33.4 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 809 aa 34.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0098 0.159 0.1758
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0098 0.159 0.1758
Echinococcus granulosus nmda type glutamate receptor 0.0113 0.2966 0.3279
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0098 0.159 0.1758
Echinococcus granulosus glutamate receptor 2 0.0098 0.159 0.1758
Echinococcus multilocularis nmda type glutamate receptor 0.0113 0.2966 0.3279
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0098 0.159 0.1758
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0098 0.159 0.1758
Brugia malayi Glutamate receptor 2 precursor 0.008 0 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0098 0.159 0.1758
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0087 0.0635 0.0702
Loa Loa (eye worm) glutamate receptor 2 0.008 0 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0098 0.159 0.1758
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.1376 0.1521
Brugia malayi Glutamate receptor 1 precursor 0.008 0 0.5
Loa Loa (eye worm) glutamate receptor 1 0.008 0 0.5
Echinococcus multilocularis glutamate receptor 2 0.0098 0.159 0.1758
Echinococcus multilocularis nmda type glutamate receptor 0.0182 0.9045 1
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.1376 0.1521
Echinococcus granulosus nmda type glutamate receptor 0.0182 0.9045 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0098 0.159 0.1758

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.7 uM Binding affinity for the ionotropic glutamate receptor kainate in rat brain synaptic membranes using [3H]-kainate as radioligand ChEMBL. 7562904
IC50 (binding) = 1.7 uM Binding affinity for the ionotropic glutamate receptor kainate in rat brain synaptic membranes using [3H]-kainate as radioligand ChEMBL. 7562904
IC50 (binding) = 2.8 uM Binding affinity was determined against ionotropic glutamate receptor AMPA in rat brain synaptic membranes using [3H]-AMPA as radioligand ChEMBL. 7562904
IC50 (binding) = 2.8 uM Binding affinity was determined against ionotropic glutamate receptor AMPA in rat brain synaptic membranes using [3H]-AMPA as radioligand ChEMBL. 7562904
IC50 (binding) = 20 uM Affinity for N-methyl-D-aspartate glutamate receptor 1 in rat brain synaptic membranes, using [3H]-Glycine as radioligand ChEMBL. 7562904
IC50 (binding) = 20 uM Affinity for N-methyl-D-aspartate glutamate receptor 1 in rat brain synaptic membranes, using [3H]-Glycine as radioligand ChEMBL. 7562904

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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