TDR Targets

Basic information

Technical information

TDR Targets ID: 34217
Name: 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine- 2,3-dione
MW: 253.129 | Formula: C7H3N5O6
H donors: 2 H acceptors: 9 LogP: 0.42 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Oc1nc2nc([N+](=O)[O-])c(cc2nc1O)[N+](=O)[O-]
InChi: 1S/C7H3N5O6/c13-6-7(14)10-4-2(8-6)1-3(11(15)16)5(9-4)12(17)18/h1H,(H,8,13)(H,9,10,14)
InChiKey: GDBMNBXUUXVCIS-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

6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-quinone
6,7-dinitro-1,4-dihydropyrido[3,2-e]pyrazine-2,3-dione
6,7-dinitro-1,4-dihydropyrido[3,2-e]pyrazine-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 (NMDA) receptor subunit zeta 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma japonicum	expressed protein	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
Echinococcus granulosus	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
Echinococcus multilocularis	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
Echinococcus multilocularis	nmda type glutamate receptor	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	Glutamate (NMDA) receptor subunit zeta 1	938 aa	822 aa	23.2 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	34.1 %
Drosophila melanogaster	Glutamate receptor IIB	Glutamate receptor ionotropic, AMPA	907 aa	863 aa	27.8 %
Echinococcus granulosus	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	875 aa	30.4 %
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	779 aa	33.4 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %
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, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	33.6 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	888 aa	34.0 %
Schistosoma mansoni	glutamate receptor kainate	Glutamate receptor ionotropic, AMPA	907 aa	753 aa	33.2 %
Onchocerca volvulus		Glutamate receptor ionotropic, AMPA	907 aa	796 aa	40.5 %
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	959 aa	30.9 %
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 %
Onchocerca volvulus	Putative 39S ribosomal protein L45, mitochondrial	Glutamate receptor ionotropic, AMPA	907 aa	799 aa	37.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Esterase, putative	0.0329	0.0144	0.5
Mycobacterium tuberculosis	Possible lipase LipU	0.0329	0.0144	1
Trichomonas vaginalis	Esterase, putative	0.0329	0.0144	0.5
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.9454	1	1
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0196	0.0075	0.4764
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0075	0.0013	0.0826
Trypanosoma cruzi	Alpha/beta hydrolase domain-containing protein	0.0329	0.0144	1
Mycobacterium tuberculosis	Probable lipase/esterase LipN	0.0329	0.0144	1
Mycobacterium ulcerans	lipase LipI	0.0329	0.0144	1
Mycobacterium tuberculosis	Possible esterase LipW	0.0329	0.0144	1
Echinococcus granulosus	nmda type glutamate receptor	0.0167	0.0061	0.0061
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0075	0.0013	0.0826
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0121	0.0037	0.1833
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0075	0.0013	0.0826
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0075	0.0013	0.0013
Mycobacterium ulcerans	lipase/esterase LipN	0.0329	0.0144	1
Mycobacterium ulcerans	carboxylesterase LipQ	0.0329	0.0144	1
Chlamydia trachomatis	biotin carboxylase	0.0068	0.0009	1
Trypanosoma brucei	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0329	0.0144	1
Mycobacterium tuberculosis	Probable non lipolytic carboxylesterase NlhH	0.0329	0.0144	1
Mycobacterium ulcerans	lipase LipU	0.0329	0.0144	1
Loa Loa (eye worm)	aryl-acylamidase	0.0329	0.0144	0.0131
Schistosoma mansoni	glutamate receptor NMDA	0.0145	0.0049	0.0036
Mycobacterium leprae	Possible lipase LipU	0.0329	0.0144	1
Mycobacterium tuberculosis	Probable acetyl-hydrolase/esterase LipR	0.0329	0.0144	1
Trichomonas vaginalis	conserved hypothetical protein	0.0329	0.0144	0.5
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0189	0.0072	0.0059
Echinococcus granulosus	nmda type glutamate receptor	0.0106	0.0029	0.0029
Leishmania major	ecotin, putative	0.0329	0.0144	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.9454	1	1
Mycobacterium tuberculosis	Probable esterase LipO	0.0329	0.0144	1
Mycobacterium ulcerans	acetyl hydrolase MbtJ	0.0329	0.0144	1
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0329	0.0144	1
Echinococcus granulosus	carboxylesterase 5A	0.0075	0.0013	0.0013
Trichomonas vaginalis	Esterase, putative	0.0329	0.0144	0.5
Mycobacterium tuberculosis	Probable esterase LipC	0.0329	0.0144	1
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0196	0.0075	0.0075
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0329	0.0144	1
Mycobacterium ulcerans	lipase LipU	0.0329	0.0144	1
Mycobacterium ulcerans	pyruvate carboxylase	0.0075	0.0013	0.0826
Treponema pallidum	N-acetylphosphinothricin-tripetide-deacetylase	0.0329	0.0144	1
Echinococcus multilocularis	nmda type glutamate receptor	0.0106	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	1.9454	1	1
Mycobacterium ulcerans	hypothetical protein	0.0329	0.0144	1
Leishmania major	hypothetical protein, conserved	0.0329	0.0144	1
Echinococcus granulosus	acetylcholinesterase	0.0075	0.0013	0.0013
Echinococcus multilocularis	acetylcholinesterase	0.0075	0.0013	0.0013
Mycobacterium ulcerans	esterase LipO	0.0329	0.0144	1
Mycobacterium ulcerans	membrane-bound esterase LipM	0.0329	0.0144	1
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.0024	0.0024
Mycobacterium tuberculosis	Putative acetyl hydrolase MbtJ	0.0329	0.0144	1
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0142	0.0048	0.5
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0075	0.0013	0.0013
Echinococcus multilocularis	nmda type glutamate receptor	0.0167	0.0061	0.0061
Trypanosoma brucei	acetyl-CoA carboxylase	0.0196	0.0075	0.4764
Schistosoma mansoni	acetyl-CoA carboxylase	0.0196	0.0075	0.0063
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0075	0.0013	0.0826
Mycobacterium ulcerans	lipase LipH	0.0329	0.0144	1
Echinococcus multilocularis	acetylcholinesterase	0.0075	0.0013	0.0013
Mycobacterium ulcerans	esterase LipW	0.0329	0.0144	1
Mycobacterium tuberculosis	Probable lipase LipH	0.0329	0.0144	1
Brugia malayi	aryl-acylamidase	0.0329	0.0144	1
Echinococcus multilocularis	carboxylesterase 5A	0.0075	0.0013	0.0013
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9D	0.0329	0.0144	1
Brugia malayi	Carboxyl transferase domain containing protein	0.0189	0.0072	0.4486
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.0024	0.0024
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0196	0.0075	0.0075
Onchocerca volvulus		0.0329	0.0144	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0329	0.0144	0.0131
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0142	0.0048	0.5
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0329	0.0144	1
Leishmania major	acetyl-CoA carboxylase, putative	0.0196	0.0075	0.4764
Loa Loa (eye worm)	ammd protein	0.0329	0.0144	0.0131
Mycobacterium ulcerans	esterase/lipase	0.0329	0.0144	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.9454	1	1
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0196	0.0075	0.4764
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0075	0.0013	0.5
Mycobacterium tuberculosis	Probable carboxylesterase LipQ	0.0329	0.0144	1
Echinococcus multilocularis	hormone sensitive lipase	1.9454	1	1
Mycobacterium tuberculosis	Probable esterase/lipase LipF	0.0329	0.0144	1
Mycobacterium ulcerans	esterase LipC	0.0329	0.0144	1
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0329	0.0144	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0075	0.0013	0.0826
Mycobacterium tuberculosis	Probable esterase LipM	0.0329	0.0144	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0072	0.0011	0.0011
Echinococcus granulosus	acetylcholinesterase	0.0075	0.0013	0.0013

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.86 uM	Compound was tested in vitro for the inhibition of the specific binding of [3H]-AMPA to Ionotropic glutamate receptor AMPA in rat whole brain membranes in the presence of 100 microM KSCN	ChEMBL.	8632440
Ki (binding)	= 0.86 uM	Compound was tested in vitro for the inhibition of the specific binding of [3H]-AMPA to Ionotropic glutamate receptor AMPA in rat whole brain membranes in the presence of 100 microM KSCN	ChEMBL.	8632440
Ki (binding)	= 8 uM	Compound was tested in vitro for the inhibition of the specific binding of [3H]-Gly to N-methyl-D-aspartate glutamate receptor 1 in rat whole brain membranes except cerebellum	ChEMBL.	8632440
Ki (binding)	= 8 uM	Compound was tested in vitro for the inhibition of the specific binding of [3H]-Gly to N-methyl-D-aspartate glutamate receptor 1 in rat whole brain membranes except cerebellum	ChEMBL.	8632440

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

ChEMBL: CHEMBL26699
PubChem: 10848460

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 34217