TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 285.255 | Formula: C14H11N3O4
H donors: 2 H acceptors: 4 LogP: 1.57 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)c1cccc(c1)N=Cc1cc(ccc1O)[N+](=O)[O-]
InChi: 1S/C14H11N3O4/c15-14(19)9-2-1-3-11(6-9)16-8-10-7-12(17(20)21)4-5-13(10)18/h1-8,18H,(H2,15,19)/b16-8+
InChiKey: AQRZOPLECMITMN-LZYBPNLTSA-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	thioredoxin reductase	0.0027	0.0418	0.0701
Echinococcus multilocularis	tar DNA binding protein	0.0044	0.0868	0.1024
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0032	0.0544	0.2216
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0028	0.0437	0.2073
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0013	0.0047	0.0023
Schistosoma mansoni	DNA topoisomerase II	0.0091	0.2108	1
Brugia malayi	GRF zinc finger family protein	0.0028	0.0437	0.1781
Toxoplasma gondii	DNA topoisomerase family protein	0.0028	0.0437	0.0734
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0013	0.0047	0.0023
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0028	0.0437	0.0734
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0091	0.2108	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0032	0.0544	0.0641
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0028	0.0437	0.0414
Entamoeba histolytica	DNA topoisomerase III, putative	0.0028	0.0437	0.1983
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0032	0.0544	0.2579
Brugia malayi	cytoplasmic intermediate filament protein	0.0012	0.0004	0.0018
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0012	0.0004	0.0018
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0069	0.1521	0.4645
Echinococcus multilocularis	muscleblind protein	0.0105	0.2453	0.2894
Brugia malayi	RNA recognition motif domain containing protein	0.0044	0.0868	0.3538
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0063	0.1371	0.2393
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0013	0.0047	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1371	0.559
Echinococcus granulosus	intermediate filament protein	0.0022	0.0268	0.0316
Echinococcus granulosus	muscleblind protein	0.0105	0.2453	0.2894
Schistosoma mansoni	tar DNA-binding protein	0.0044	0.0868	0.4118
Giardia lamblia	DNA topoisomerase II	0.0079	0.1784	1
Schistosoma mansoni	tar DNA-binding protein	0.0044	0.0868	0.4118
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0022	0.0268	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0105	0.2453	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.2453	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0069	0.1521	0.1501
Loa Loa (eye worm)	TAR-binding protein	0.0044	0.0868	0.3538
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0013	0.0047	0.0042
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0391	1	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0013	0.0047	0.0023
Schistosoma mansoni	heat shock protein	0.0012	0.0024	0.0113
Brugia malayi	latrophilin 2 splice variant baaae	0.0025	0.0347	0.1416
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0027	0.0418	0.0396
Loa Loa (eye worm)	glutathione reductase	0.0027	0.0418	0.1706
Mycobacterium ulcerans	DNA gyrase subunit B	0.0391	1	1
Echinococcus granulosus	tar DNA binding protein	0.0044	0.0868	0.1024
Loa Loa (eye worm)	RNA binding protein	0.0044	0.0868	0.3538
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0062	0.1338	0.1317
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0028	0.0437	0.0734
Schistosoma mansoni	tar DNA-binding protein	0.0044	0.0868	0.4118
Giardia lamblia	DNA topoisomerase III	0.0028	0.0437	0.2347
Schistosoma mansoni	endoplasmin	0.0012	0.0024	0.0113
Mycobacterium tuberculosis	Probable dehydrogenase	0.0062	0.1338	0.1317
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0013	0.0047	0.0042
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0013	0.0047	0.0042
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0091	0.2108	0.8591
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0012	0.0024	0.0028
Trichomonas vaginalis	ap endonuclease, putative	0.0013	0.0047	0.0112
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0028	0.0437	0.0734
Trypanosoma cruzi	trypanothione reductase, putative	0.0027	0.0418	0.0701
Schistosoma mansoni	endoplasmin	0.0012	0.0024	0.0113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0032	0.0544	0.2579
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1371	0.559
Plasmodium falciparum	glutathione reductase	0.0027	0.0418	0.0396
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0013	0.0047	0.0056
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.0028	0.0437	0.1781
Echinococcus multilocularis	muscleblind protein 1	0.0105	0.2453	0.2894
Brugia malayi	Muscleblind-like protein	0.0105	0.2453	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0013	0.0047	0.0112
Plasmodium vivax	thioredoxin reductase, putative	0.0027	0.0418	0.0396
Echinococcus granulosus	neuropeptide s receptor	0.0333	0.8476	1
Plasmodium vivax	DNA topoisomerase II, putative	0.0091	0.2108	0.2089
Loa Loa (eye worm)	heat shock protein 90	0.0012	0.0024	0.0097
Loa Loa (eye worm)	DNA topoisomerase III	0.0028	0.0437	0.1781
Schistosoma mansoni	tar DNA-binding protein	0.0044	0.0868	0.4118
Plasmodium falciparum	DNA gyrase subunit B	0.0391	1	1
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0091	0.2108	1
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0063	0.1371	0.2393
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.0028	0.0437	0.0516
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0391	1	1
Loa Loa (eye worm)	TOPoisomerase family member	0.0091	0.2108	0.8591
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0091	0.2108	1
Chlamydia trachomatis	DNA topoisomerase I	0.0028	0.0437	0.0414
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0063	0.1371	0.2393
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0013	0.0047	0.0023
Brugia malayi	RNA binding protein	0.0044	0.0868	0.3538
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0013	0.0047	0.0056
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0091	0.2108	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0028	0.0428	0.0505
Schistosoma mansoni	intermediate filament proteins	0.0022	0.0268	0.127
Treponema pallidum	DNA topoisomerase I (topA)	0.0028	0.0437	0.0414
Echinococcus multilocularis	neuropeptide s receptor	0.0333	0.8476	1
Plasmodium vivax	DNA gyrase subunit B, putative	0.0391	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0044	0.0868	0.4118
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0391	1	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0013	0.0047	0.0023
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0226	0.5653	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0013	0.0047	0.0133
Plasmodium falciparum	thioredoxin reductase	0.0027	0.0418	0.0396
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0028	0.0437	0.0734
Echinococcus multilocularis	neuropeptide receptor A26	0.0333	0.8476	1
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0028	0.0437	0.0734
Echinococcus multilocularis	rho GTPase activating protein 20	0.0028	0.0437	0.0516
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0226	0.5653	1
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0091	0.2108	0.2487
Entamoeba histolytica	DNA topoisomerase III, putative	0.0028	0.0437	0.1983
Brugia malayi	glutathione reductase	0.0027	0.0418	0.1706
Brugia malayi	Probable DNA topoisomerase II	0.0091	0.2108	0.8591
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0028	0.0437	0.0734
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0044	0.0868	0.3538
Brugia malayi	heat shock protein 90	0.0012	0.0024	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0024	0.0097
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0032	0.0544	0.2216
Echinococcus granulosus	thioredoxin glutathione reductase	0.0028	0.0428	0.0505
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0028	0.0437	0.1983
Trypanosoma brucei	DNA topoisomerase ii	0.0226	0.5653	1
Schistosoma mansoni	heat shock protein	0.0012	0.0024	0.0113
Plasmodium vivax	DNA topoisomerase 3, putative	0.0028	0.0437	0.0414
Echinococcus granulosus	lamin	0.0022	0.0268	0.0316
Loa Loa (eye worm)	endoplasmin	0.0012	0.0024	0.0097
Schistosoma mansoni	pyruvate dehydrogenase	0.0012	0.0024	0.0113
Echinococcus granulosus	heat shock protein 90	0.0012	0.0024	0.0028
Loa Loa (eye worm)	intermediate filament protein	0.0022	0.0268	0.1091
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0062	0.1338	0.1317
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0036	0.0647	0.2636
Chlamydia trachomatis	DNA gyrase subunit B	0.0257	0.6454	0.6446
Plasmodium vivax	glutathione reductase, putative	0.0027	0.0418	0.0396
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0028	0.0437	0.0734
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0257	0.1049
Leishmania major	DNA topoisomerase 1A	0.0028	0.0437	0.0734
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0028	0.0437	0.2073
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0012	0.0024	0.0028
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0062	0.1338	0.4078
Onchocerca volvulus		0.0028	0.0437	0.0921
Toxoplasma gondii	exonuclease III APE	0.0013	0.0047	0.0042
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0032	0.0544	0.0641
Schistosoma mansoni	lamin	0.0022	0.0268	0.127
Entamoeba histolytica	DNA topoisomerase II, putative	0.0091	0.2108	1
Echinococcus granulosus	lamin dm0	0.0022	0.0268	0.0316
Leishmania major	trypanothione reductase	0.0027	0.0418	0.0701
Trypanosoma brucei	DNA topoisomerase III, putative	0.0028	0.0437	0.0734
Schistosoma mansoni	lamin	0.0022	0.0268	0.127
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0091	0.2108	0.2487
Leishmania major	DNA topoisomerase III, putative	0.0028	0.0437	0.0734
Brugia malayi	DNA topoisomerase III beta-1	0.0028	0.0437	0.1781
Schistosoma mansoni	ap endonuclease	0.0013	0.0047	0.0224
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0069	0.1521	0.1501
Giardia lamblia	DNA topoisomerase III	0.0028	0.0437	0.2347
Echinococcus multilocularis	heat shock protein	0.0012	0.0024	0.0028
Brugia malayi	Thioredoxin reductase	0.0027	0.0418	0.1706
Leishmania major	mitochondrial DNA topoisomerase II	0.0226	0.5653	1
Brugia malayi	Endoplasmin precursor	0.0012	0.0024	0.0097
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0062	0.1338	0.1317
Brugia malayi	kinase, mitochondrial precursor	0.0012	0.0024	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0268	0.1091
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0135	0.3247	1
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.0028	0.0437	0.0516
Mycobacterium ulcerans	DNA topoisomerase I	0.0028	0.0437	0.0414
Echinococcus granulosus	neuropeptide receptor A26	0.0333	0.8476	1
Mycobacterium tuberculosis	Probable reductase	0.0062	0.1338	0.1317
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0647	0.2636
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0063	0.1371	0.2393
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0091	0.2108	0.8591
Brugia malayi	Intermediate filament tail domain containing protein	0.0022	0.0268	0.1091
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0032	0.0544	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0347	0.1416
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.0028	0.0437	0.1282
Echinococcus multilocularis	lamin	0.0022	0.0268	0.0316
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0036	0.0647	0.2636
Echinococcus multilocularis	heat shock protein 90	0.0012	0.0024	0.0028
Mycobacterium tuberculosis	Probable oxidoreductase	0.0069	0.1521	0.1501
Trypanosoma brucei	DNA topoisomerase III, putative	0.0028	0.0437	0.0734
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0032	0.0544	0.0641
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0028	0.0437	0.1983
Trichomonas vaginalis	ap endonuclease, putative	0.0013	0.0047	0.0112
Brugia malayi	intermediate filament protein	0.0022	0.0268	0.1091
Brugia malayi	exodeoxyribonuclease III family protein	0.0013	0.0047	0.0193
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0013	0.0047	0.0042
Plasmodium falciparum	DNA topoisomerase 2	0.0091	0.2108	0.2089
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.0028	0.0437	0.0516
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0032	0.0544	0.2579
Echinococcus multilocularis	musashi	0.0022	0.0268	0.0316
Echinococcus granulosus	heat shock protein	0.0012	0.0024	0.0028
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0028	0.0437	0.0414
Brugia malayi	TAR-binding protein	0.0044	0.0868	0.3538
Schistosoma mansoni	hypothetical protein	0.0025	0.0347	0.1648
Loa Loa (eye worm)	thioredoxin reductase	0.0027	0.0418	0.1706
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0013	0.0047	0.0193
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0036	0.0647	0.2636
Echinococcus multilocularis	lamin dm0	0.0022	0.0268	0.0316
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0062	0.1338	0.1317
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0012	0.0024	0.0028
Leishmania major	DNA topoisomerase III, putative	0.0028	0.0437	0.0734
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0091	0.2108	0.3701
Schistosoma mansoni	ap endonuclease	0.0013	0.0047	0.0224
Leishmania major	DNA topoisomerase ii	0.0063	0.1371	0.2393
Brugia malayi	DNA topoisomerase III	0.0028	0.0437	0.1781
Trypanosoma brucei	trypanothione reductase	0.0027	0.0418	0.0701
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0226	0.5653	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 811899