TDR Targets

Basic information

Technical information

TDR Targets ID: 101805
Name: 4-hydroxy-7-imidazol-1-yl-6-nitro-1H-quinoxal ine-2,3-dione
MW: 289.204 | Formula: C11H7N5O5
H donors: 2 H acceptors: 6 LogP: -0.28 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1cc2c(cc1n1cncc1)[nH]c(=O)c(=O)n2O
InChi: 1S/C11H7N5O5/c17-10-11(18)15(19)7-4-9(16(20)21)8(3-6(7)13-10)14-2-1-12-5-14/h1-5,19H,(H,13,17)
InChiKey: GTQHGFVPAGVYBZ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

4-hydroxy-7-(1-imidazolyl)-6-nitro-1H-quinoxaline-2,3-dione
4-hydroxy-7-imidazol-1-yl-6-nitro-1H-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

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
Onchocerca volvulus	Putative 39S ribosomal protein L45, mitochondrial	Glutamate receptor ionotropic, AMPA	907 aa	799 aa	37.7 %
Drosophila melanogaster	Glutamate receptor IA	Glutamate receptor ionotropic, AMPA	907 aa	900 aa	40.6 %
Schistosoma mansoni	glutamate receptor kainate	Glutamate receptor ionotropic, AMPA	907 aa	753 aa	33.2 %
Echinococcus multilocularis	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	868 aa	30.4 %
Echinococcus granulosus	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	888 aa	34.0 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	33.6 %
Drosophila melanogaster	NMDA receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	789 aa	22.1 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %
Echinococcus granulosus	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	875 aa	30.4 %
Drosophila melanogaster	Glutamate receptor IIB	Glutamate receptor ionotropic, AMPA	907 aa	863 aa	27.8 %
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	948 aa	30.6 %
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	959 aa	30.9 %
Onchocerca volvulus		Glutamate receptor ionotropic, AMPA	907 aa	796 aa	40.5 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	34.1 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	886 aa	34.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0071	0.3692	0.828
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0071	0.3692	0.3692
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0524	0.1175
Schistosoma mansoni	nAChR subunit	0.0071	0.3692	0.3692
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0071	0.3692	0.828
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0071	0.3692	0.3692
Echinococcus granulosus	pantothenate kinase 4	0.0079	0.4459	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0071	0.3692	0.3692
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.014	1	1
Onchocerca volvulus		0.0071	0.3692	0.2889
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0524	0.1175
Loa Loa (eye worm)	ACC-1 protein	0.0071	0.3692	0.3692
Schistosoma mansoni	nAChR subunit	0.0071	0.3692	0.3692
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0524	0.1175
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0071	0.3692	0.828
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0071	0.3692	0.828
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Echinococcus multilocularis	glutamate receptor 2	0.0036	0.0524	0.1175
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0071	0.3692	0.828
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0071	0.3692	0.828
Schistosoma mansoni	nAChR subunit	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Entamoeba histolytica	pantothenate kinase 1, putative	0.0079	0.4459	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.004	0.088	0.1974
Echinococcus granulosus	glycine receptor subunit beta	0.0071	0.3692	0.828
Echinococcus multilocularis	pantothenate kinase 4	0.0079	0.4459	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Echinococcus granulosus	nmda type glutamate receptor	0.004	0.088	0.1974
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0043	0.1129	0.1129
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0071	0.3692	0.3692
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0036	0.0524	0.1175
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0071	0.3692	0.828
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0071	0.3692	0.828
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0524	0.1175
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0071	0.3692	0.3692
Schistosoma mansoni	glutamate receptor NMDA	0.0036	0.0524	0.0524
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0071	0.3692	0.828
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0071	0.3692	0.828
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Schistosoma mansoni	pantothenate kinase	0.0079	0.4459	0.4459
Brugia malayi	Cation transporter family protein	0.0071	0.3692	0.3692
Trypanosoma brucei	pantothenate kinase subunit, putative	0.0079	0.4459	0.5
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0043	0.1129	0.1129
Brugia malayi	Cation transporter family protein	0.0071	0.3692	0.3692
Brugia malayi	excitatory GABA receptor EXP-1A	0.0071	0.3692	0.3692
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0071	0.3692	0.3692
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0071	0.3692	0.3692
Toxoplasma gondii	fumble protein	0.0079	0.4459	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0071	0.3692	0.828
Echinococcus granulosus	nAChR subunit	0.0071	0.3692	0.828
Schistosoma mansoni	nAChR subunit	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1129	0.1129
Giardia lamblia	Pantothenate kinase 4	0.0079	0.4459	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0071	0.3692	0.3692
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0071	0.3692	0.828
Plasmodium vivax	pantothenate kinase, putative	0.0079	0.4459	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1129	0.1129
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0071	0.3692	0.828
Loa Loa (eye worm)	GABA receptor subunit	0.0043	0.1129	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1129	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0524	0.1175
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0071	0.3692	0.828
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0071	0.3692	0.3692
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0071	0.3692	0.828
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0071	0.3692	0.3692
Echinococcus granulosus	glutamate receptor 2	0.0036	0.0524	0.1175
Leishmania major	pantothenate kinase subunit, putative	0.0079	0.4459	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0071	0.3692	0.3692
Trichomonas vaginalis	pantothenate kinase, putative	0.0079	0.4459	1
Schistosoma mansoni	nAChR subunit	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1129	0.1129
Echinococcus multilocularis	nmda type glutamate receptor	0.004	0.088	0.1974
Loa Loa (eye worm)	pantothenate kinase	0.0079	0.4459	0.4459
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0079	0.4459	0.5
Trichomonas vaginalis	pantothenate kinase, putative	0.0079	0.4459	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Onchocerca volvulus	Fumble homolog	0.0079	0.4459	0.3754
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0071	0.3692	0.3692
Echinococcus multilocularis	nAChR subunit	0.0043	0.1129	0.2532
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1129	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0112	0.7437	0.7437
Loa Loa (eye worm)	hypothetical protein	0.014	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Onchocerca volvulus		0.014	1	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0043	0.1129	0.1129
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0043	0.1129	0.1129
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0043	0.1129	0.1129
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0071	0.3692	0.828
Schistosoma mansoni	pantothenate kinase	0.0079	0.4459	0.4459
Trichomonas vaginalis	pantothenate kinase, putative	0.0079	0.4459	1
Loa Loa (eye worm)	ACC-1 protein	0.0071	0.3692	0.3692
Onchocerca volvulus		0.014	1	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0071	0.3692	0.3692
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0071	0.3692	0.3692
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0071	0.3692	0.3692
Onchocerca volvulus	Putative nachr subunit	0.0071	0.3692	0.2889
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0071	0.3692	0.828
Onchocerca volvulus		0.0071	0.3692	0.2889
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0071	0.3692	0.3692
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.014	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Plasmodium falciparum	pantothenate kinase 1, putative	0.0079	0.4459	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Schistosoma mansoni	nAChR subunit	0.0071	0.3692	0.3692
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0071	0.3692	0.3692
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0071	0.3692	0.828
Schistosoma mansoni	nAChR subunit	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0071	0.3692	0.3692
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0071	0.3692	0.3692
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1129	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1129	0.1129
Echinococcus granulosus	glycine receptor subunit beta	0.0071	0.3692	0.828
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1129	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Echinococcus granulosus	nAChR subunit	0.0043	0.1129	0.2532
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0043	0.1129	0.1129
Onchocerca volvulus		0.014	1	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0524	0.1175
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0043	0.1129	0.1129
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0071	0.3692	0.828
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Echinococcus multilocularis	nAChR subunit	0.0071	0.3692	0.828
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0071	0.3692	0.828
Onchocerca volvulus		0.0071	0.3692	0.2889
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0079	0.4459	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3692	0.3692
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0071	0.3692	0.3692
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0071	0.3692	0.3692
Trichomonas vaginalis	pantothenate kinase, putative	0.0079	0.4459	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0071	0.3692	0.828
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.014	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0071	0.3692	0.828
Echinococcus multilocularis	glycine receptor subunit beta	0.0071	0.3692	0.828
Brugia malayi	pantothenate kinase family protein	0.0079	0.4459	0.4459
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0036	0.0524	0.1175
Loa Loa (eye worm)	LGC-31 protein	0.0071	0.3692	0.3692
Trichomonas vaginalis	pantothenate kinase, putative	0.0079	0.4459	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.44 uM	Inhibition of [3H]-AMPA binding to Ionotropic glutamate receptor from rat whole brain.	ChEMBL.	9207947
Ki (binding)	= 0.44 uM	Binding affinity of the compound towards Ionotropic glutamate receptor AMPA was determined in rat whole brain membrane using [3H]-AMPA as radioligand	ChEMBL.	8831762
Ki (binding)	= 0.44 uM	Inhibition of [3H]-AMPA binding to Ionotropic glutamate receptor from rat whole brain.	ChEMBL.	9207947
Ki (binding)	= 0.44 uM	Binding affinity of the compound towards Ionotropic glutamate receptor AMPA was determined in rat whole brain membrane using [3H]-AMPA as radioligand	ChEMBL.	8831762

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

PubChem: 10493636

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 101805