TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 298.254 | Formula: C14H10N4O4
H donors: 2 H acceptors: 5 LogP: 1.94 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cc(ccc1O)c1ccc(o1)/C=N/n1cnnc1
InChi: 1S/C14H10N4O4/c19-12-3-1-9(5-11(12)14(20)21)13-4-2-10(22-13)6-17-18-7-15-16-8-18/h1-8,19H,(H,20,21)/b17-6+
InChiKey: MELGJDKJHFOWDU-UBKPWBPPSA-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	MH2 domain containing protein	0.014	0.8701	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0154	0.0177
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0154	0.0154
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0154	0.0177
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0154	0.0154
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0154	0.0167
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0148	0.921	0.921
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0154	0.0154
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0154	0.0177
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0154	0.0154
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0154	0.0154
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0154	0.0177
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0154	0.0154
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0154	0.0154
Brugia malayi	steroid hormone receptor	0.0012	0.0154	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0154	0.0177
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0154	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0154	0.0177
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0154	0.0154
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.001	0.0027	0.5
Entamoeba histolytica	hypothetical protein	0.0042	0.2178	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0154	0.0177
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0154	0.0154
Schistosoma mansoni	ferritin light chain	0.001	0.0027	0.0027
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0154	0.0177
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.2178	0.2364
Brugia malayi	nuclear hormone receptor	0.0012	0.0154	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0154	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0154	0.0177
Entamoeba histolytica	hypothetical protein	0.0042	0.2178	0.5
Schistosoma mansoni	ferritin	0.001	0.0027	0.0027
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0154	0.0167
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0154	0.0177
Schistosoma mansoni	coup transcription factor	0.0012	0.0154	0.0154
Schistosoma mansoni	ferritin	0.001	0.0027	0.0027
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0148	0.921	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0154	0.0154
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0154	0.0177
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0154	0.0154
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0154	0.0177
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0154	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0154	0.0177
Schistosoma mansoni	apoferritin-2	0.001	0.0027	0.0027
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0154	0.0167
Entamoeba histolytica	hypothetical protein	0.0042	0.2178	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0154	0.0154
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0154	0.5
Mycobacterium ulcerans	bacterioferritin BfrB	0.001	0.0027	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0154	0.0154
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0154	0.0154
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0154	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0154	0.0177
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.001	0.0027	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0154	0.0177
Entamoeba histolytica	hypothetical protein	0.0042	0.2178	0.5
Schistosoma mansoni	thyroid hormone receptor	0.016	1	1
Trichomonas vaginalis	ferritin, putative	0.001	0.0027	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.8701	1
Schistosoma mansoni	hypothetical protein	0.0148	0.921	0.921
Echinococcus multilocularis	expressed protein	0.001	0.0027	0.0027
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0154	0.0177
Schistosoma mansoni	ferritin	0.001	0.0027	0.0027
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0154	0.0177
Echinococcus granulosus	ferritin	0.001	0.0027	0.0029
Onchocerca volvulus		0.0012	0.0154	0.5
Echinococcus granulosus	expressed protein	0.001	0.0027	0.0029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0154	0.0177
Schistosoma mansoni	hypothetical protein	0.0042	0.2178	0.2178
Brugia malayi	hypothetical protein	0.0042	0.2178	0.2503
Schistosoma mansoni	apoferritin-2	0.001	0.0027	0.0027
Treponema pallidum	bacterioferrin (TpF1)	0.001	0.0027	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0154	0.0177
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0154	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0154	0.0177
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0154	0.0177
Brugia malayi	ecdysteroid receptor	0.0012	0.0154	0.0177
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0154	0.0154
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0154	0.0167
Mycobacterium ulcerans	bacterioferritin BfrA	0.001	0.0027	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0154	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0154	0.0177
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0154	0.0177
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0154	0.0167
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.2178	0.2178
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0154	0.0177
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.2178	0.2178
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0154	0.0154
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0154	0.0177
Schistosoma mansoni	ferritin light chain	0.001	0.0027	0.0027
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.8701	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0154	0.5
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0154	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0154	0.0177
Schistosoma mansoni	thyroid hormone receptor	0.016	1	1
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0.0027	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0154	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0154	0.0177
Schistosoma mansoni	ferritin	0.001	0.0027	0.0027
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0154	0.0177
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.001	0.0027	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0154	0.0167
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0154	0.0167
Echinococcus multilocularis	ferritin	0.001	0.0027	0.0027

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 um	PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confirmatory)	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 811948