Detailed information for compound 159629

Basic information

Technical information
  • TDR Targets ID: 159629
  • Name: 2-(6-nitro-2,3-dioxo-7-pyrrol-1-yl-4H-quinoxa lin-1-yl)-N-phenylacetamide
  • MW: 405.364 | Formula: C20H15N5O5
  • H donors: 2 H acceptors: 5 LogP: 1.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1c(=O)c(=O)[nH]c2c1cc(n1cccc1)c(c2)[N+](=O)[O-])Nc1ccccc1
  • InChi: 1S/C20H15N5O5/c26-18(21-13-6-2-1-3-7-13)12-24-15-11-16(23-8-4-5-9-23)17(25(29)30)10-14(15)22-19(27)20(24)28/h1-11H,12H2,(H,21,26)(H,22,27)
  • InChiKey: BXBOBZOLOKVEOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(6-nitro-2,3-dioxo-7-pyrrol-1-yl-4H-quinoxalin-1-yl)-N-phenyl-acetamide
  • 2-[6-nitro-2,3-dioxo-7-(1-pyrrolyl)-4H-quinoxalin-1-yl]-N-phenylacetamide
  • 2-(6-nitro-2,3-dioxo-7-pyrrol-1-yl-4H-quinoxalin-1-yl)-N-phenyl-ethanamide
  • 2-(2,3-diketo-6-nitro-7-pyrrol-1-yl-4H-quinoxalin-1-yl)-N-phenyl-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus glutamate receptor, ionotropic, AMPA1 (alpha 1) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 Get druggable targets OG5_128645 All targets in OG5_128645
Brugia malayi Glutamate receptor 1 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 4 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 4 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor subunit protein glur Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor subunit protein glur Get druggable targets OG5_128645 All targets in OG5_128645
Brugia malayi Glutamate receptor 2 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
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, AMPA1 (alpha 1) 907 aa 780 aa 33.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis glutamate receptor 2 0.0081 0.3791 0.3791
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Schistosoma mansoni nuclear hormone receptor 0.0073 0.3123 0.3123
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0082 0.3859 0.3859
Onchocerca volvulus 0.0155 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0082 0.3859 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0155 1 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0062 0.2193 0.2193
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0155 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0073 0.3123 0.3123
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0155 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0073 0.3123 0.3123
Loa Loa (eye worm) steroid hormone receptor 0.0155 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0073 0.3123 0.3123
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0155 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0155 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0155 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0155 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0082 0.3859 0.2978
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0087 0.4273 0.4273
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0087 0.4273 0.4273
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0155 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0155 1 1
Echinococcus multilocularis glutamate receptor 2 0.0087 0.4273 0.4273
Echinococcus multilocularis FTZ F1 alpha 0.0155 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Echinococcus granulosus Nuclear hormone receptor HR96 0.0073 0.3123 0.3123
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0155 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0155 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0155 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0155 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0082 0.3859 0.3859
Brugia malayi nuclear hormone receptor 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.3859 0.2978
Schistosoma mansoni zinc finger protein 0.0073 0.3123 0.3123
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0155 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0155 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0155 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0082 0.3859 0.3859
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0155 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0073 0.3123 0.3123
Brugia malayi photoreceptor-specific nuclear receptor 0.0155 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Echinococcus granulosus glutamate receptor 2 0.0087 0.4273 0.4273
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Schistosoma mansoni thyroid hormone receptor 0.0155 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0073 0.3123 0.3123
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.3859 0.2978
Loa Loa (eye worm) DR-78 0.0073 0.3123 0.2136
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0073 0.3123 0.3123
Brugia malayi Glutamate receptor 2 precursor 0.0081 0.3791 0.0972
Schistosoma mansoni nuclear hormone receptor 0.0073 0.3123 0.3123
Brugia malayi Nuclear hormone receptor-like 1 0.0155 1 1
Loa Loa (eye worm) glutamate receptor 1 0.0081 0.3791 0.2901
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0155 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0073 0.3123 0.2136
Brugia malayi steroid hormone receptor 0.0155 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0073 0.3123 0.3123
Echinococcus granulosus FTZ F1 alpha 0.0155 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0082 0.3859 0.3859
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Brugia malayi nuclear receptor NHR-88 0.0155 1 1
Echinococcus granulosus glutamate receptor 4 0.0051 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0082 0.3859 0.2978
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0073 0.3123 0.3123
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.3859 0.2978
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0155 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0155 1 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0062 0.2193 0.2193
Loa Loa (eye worm) hypothetical protein 0.0082 0.3859 0.2978
Loa Loa (eye worm) nuclear receptor NHR-67 0.0073 0.3123 0.2136
Brugia malayi hypothetical protein 0.0082 0.3859 0.1071
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0073 0.3123 0.3123
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0155 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0155 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0073 0.3123 0.3123
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0155 1 1
Echinococcus granulosus glutamate receptor 2 0.0076 0.3334 0.3334
Schistosoma mansoni steroid hormone receptor ad4bp 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Schistosoma mansoni nuclear hormone receptor 0.0155 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0155 1 1
Schistosoma mansoni coup transcription factor 0.0155 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0155 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0155 1 1
Schistosoma mansoni nuclear receptor 0.0073 0.3123 0.3123
Schistosoma mansoni thyroid hormone receptor 0.0155 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0155 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0155 1 1
Brugia malayi hypothetical protein 0.0082 0.3859 0.1071
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0155 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0155 1 1
Brugia malayi Glutamate receptor 1 precursor 0.0081 0.3791 0.0972
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0073 0.3123 0.3123
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0073 0.3123 0.3123
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0073 0.3123 0.3123
Echinococcus multilocularis ecdysone induced protein 78C 0.0155 1 1
Echinococcus granulosus glutamate receptor 1 0.0051 0.1254 0.1254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0073 0.3123 0.3123
Echinococcus multilocularis glutamate receptor 2 0.0076 0.3334 0.3334
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Echinococcus granulosus ecdysone induced protein 78C 0.0155 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0155 1 1
Echinococcus multilocularis glutamate receptor 4 0.0051 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136
Schistosoma mansoni RAR-like nuclear receptor 0.0155 1 1
Brugia malayi nuclear receptor RXR 0.0082 0.3859 0.1071
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0073 0.3123 0.2136
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0155 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0155 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0155 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0082 0.3859 0.1071
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0155 1 1
Schistosoma mansoni nuclear receptor 0.0073 0.3123 0.3123
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0155 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3123 0.2136

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.1 uM Compound was tested for binding affinity against Ionotropic glutamate receptor AMPA using [3H]-AMPA as a radioligand. ChEMBL. No reference
Ki (binding) = 2.1 uM Compound was tested for binding affinity against Ionotropic glutamate receptor AMPA using [3H]-AMPA as a radioligand. ChEMBL. No reference

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

No literature references available for this target.

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