TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 298.254 | Formula: C14H10N4O4
H donors: 2 H acceptors: 4 LogP: 1.6 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cc(ccc1Oc1cccc(c1)NC(=O)N)[N+](=O)[O-]
InChi: 1S/C14H10N4O4/c15-8-9-6-11(18(20)21)4-5-13(9)22-12-3-1-2-10(7-12)17-14(16)19/h1-7H,(H3,16,17,19)
InChiKey: WOGNJXQIXAMMOR-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

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
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0814	0.0814
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.3105	0.3105
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0336	0.1083
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0355	0.0472
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0355	0.1144
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0355	0.004
Leishmania major	glutathione-S-transferase/glutaredoxin, putative	0.0138	0.4989	1
Schistosoma mansoni	hypothetical protein	0.0066	0.2205	0.2205
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0336	0.0433
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0089	0.3105	0.3105
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0355	0.1144
Brugia malayi	hypothetical protein	0.0138	0.4989	0.4989
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0089	0.3105	0.3105
Trypanosoma brucei	unspecified product	0.0019	0.0355	0.0472
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.3403	0.3403
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0355	0.0019
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0336	0.5
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0355	0.1144
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0814	0.2623
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0355	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0355	0.0472
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Loa Loa (eye worm)	glutaminase 2	0.0266	1	1
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0355	0.004
Trichomonas vaginalis	glutaminase, putative	0.0266	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.4989	0.4989
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.3403	0.3403
Trypanosoma cruzi	glutathione-S-transferase/glutaredoxin, putative	0.0138	0.4989	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0355	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2205	0.2205
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.3403	0.3403
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0355	0.004
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0355	0.1144
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0336	0.0336
Schistosoma mansoni	hypothetical protein	0.0031	0.0814	0.0814
Schistosoma mansoni	glutaminase	0.0266	1	1
Leishmania major	DNA polymerase eta, putative	0.0019	0.0355	0.004
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0814	0.0814
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0355	0.0355
Schistosoma mansoni	hypothetical protein	0.0031	0.0814	0.0814
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0355	0.0355
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0355	0.1144
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0355	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.3105	0.3105
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0336	0.5
Echinococcus granulosus	GPCR family 2	0.0031	0.0814	0.2623
Loa Loa (eye worm)	glutaminase	0.0266	1	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0355	0.0355
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0814	0.2623
Schistosoma mansoni	hypothetical protein	0.0031	0.0814	0.0814
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0355	0.0472
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0355	0.0019
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Schistosoma mansoni	ap endonuclease	0.0018	0.0336	0.0336
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0814	0.2623
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0355	0.004
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0336	0.0336
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.3105	0.3105
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0336	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0.3403	0.3403
Toxoplasma gondii	prostaglandin-E synthase	0.0138	0.4989	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0336	0.1083
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0336	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0355	0.0355
Schistosoma mansoni	hypothetical protein	0.0031	0.0814	0.0814
Echinococcus granulosus	dna polymerase eta	0.0019	0.0355	0.1144
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0355	0.0355
Trypanosoma cruzi	glutathione-S-transferase/glutaredoxin, putative	0.0138	0.4989	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Trypanosoma brucei	Prostaglandin E synthase	0.0138	0.4989	1
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0814	0.2623
Schistosoma mansoni	ap endonuclease	0.0018	0.0336	0.0336
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0355	0.0019
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0355	0.004
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0355	0.004
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.3105	1
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0355	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0355	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.3105	1
Onchocerca volvulus		0.0138	0.4989	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0355	0.0472
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0814	0.2623
Mycobacterium ulcerans	glutaminase	0.0266	1	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0355	0.0019
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.2205	0.2205
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0814	0.0814
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.3105	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.3105	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0355	0.004
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0355	0.0472
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0355	0.0355
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0814	0.0814

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

ChEMBL: CHEMBL504636

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1002851