Detailed information for compound 60246

Basic information

Technical information
  • TDR Targets ID: 60246
  • Name: 7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-d ione
  • MW: 221.17 | Formula: C9H7N3O4
  • H donors: 2 H acceptors: 6 LogP: 1.36 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2nc(O)c(nc2c(c1)[N+](=O)[O-])O
  • InChi: 1S/C9H7N3O4/c1-4-2-5-7(6(3-4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)
  • InChiKey: ZRPDPKYZSUQWJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 Starlite/ChEMBL References
Homo sapiens glutamate receptor, ionotropic, N-methyl-D-aspartate 3A Starlite/ChEMBL References
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum expressed protein Get druggable targets OG5_133478 All targets in OG5_133478
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster NMDA receptor 2 Glutamate (NMDA) receptor subunit zeta 1   938 aa 878 aa 27.4 %
Drosophila melanogaster Glutamate receptor IA Glutamate (NMDA) receptor subunit zeta 1   938 aa 979 aa 23.7 %
Echinococcus multilocularis glutamate (NMDA) receptor subunit Glutamate (NMDA) receptor subunit zeta 1   938 aa 822 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni glutamate receptor NMDA 0.0273 0.389 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0615 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0324 0.4794 0.5
Mycobacterium ulcerans hypothetical protein 0.0324 0.4794 0.5
Echinococcus granulosus glutamate receptor NMDA 0.019 0.2409 0.6766
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0083 0.0482 0.0532
Echinococcus multilocularis nmda type glutamate receptor 0.0246 0.3409 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0105 0.0885 0.0358
Loa Loa (eye worm) hypothetical protein 0.0153 0.1737 1
Echinococcus multilocularis glutamate receptor 2 0.0083 0.0482 0.1413
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0083 0.0482 0.1413
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0083 0.0482 0.0532
Giardia lamblia DNA polymerase alpha subunit A 0.0094 0.0686 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0615 1 1
Echinococcus multilocularis nmda type glutamate receptor 0.02 0.2573 0.7549
Echinococcus granulosus glutamate receptor 2 0.0083 0.0482 0.0532
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0615 1 1
Toxoplasma gondii hypothetical protein 0.0099 0.0774 1
Plasmodium vivax DNA polymerase alpha, putative 0.009 0.0615 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0291 0.4206 0.3871
Echinococcus multilocularis glutamate receptor NMDA 0.019 0.2409 0.7067
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0083 0.0482 0.0532
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0074 0.0317 0.0931
Echinococcus multilocularis glutamate receptor 2 0.0074 0.0317 0.0931
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0083 0.0482 0.1413
Echinococcus granulosus nmda type glutamate receptor 0.0246 0.3409 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0083 0.0482 0.0532
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0083 0.0482 0.1413
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0291 0.4206 0.3871
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0083 0.0482 0.1413
Echinococcus granulosus nmda type glutamate receptor 0.02 0.2573 0.7298
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0111 0.0991 0.218
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0111 0.0991 0.1886
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0153 0.1737 0.5
Brugia malayi DNA polymerase alpha catalytic subunit 0.009 0.0615 1
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0111 0.0991 0.2908

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.97 Compound was tested for inhibition of [3H]-DCKA binding to N-methyl-D-aspartate glutamate receptor ChEMBL. 12699379
IC50 (binding) = 9.3 uM Inhibition of [3H]-DCKA binding to N-methyl-D-aspartate glutamate receptor ChEMBL. 12699379
IC50 (binding) = 9.3 uM Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain cortical membranes. ChEMBL. 9057859
IC50 (binding) = 9.3 uM Inhibition of [3H]-DCKA binding to N-methyl-D-aspartate glutamate receptor ChEMBL. 12699379
IC50 (binding) = 9.3 uM Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain cortical membranes. ChEMBL. 9057859
Log (binding) = -0.97 1/IC50 Compound was tested for inhibition of [3H]-DCKA binding to N-methyl-D-aspartate glutamate receptor ChEMBL. 12699379

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

2 literature references were collected for this gene.

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