TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.276 | Formula: C17H9FN4O4
H donors: 1 H acceptors: 4 LogP: 2.42 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=c1[nH]c(=O)c2c(n1)n(c1ccccc1F)c1c(c2)cccc1[N+](=O)[O-]
InChi: 1S/C17H9FN4O4/c18-11-5-1-2-6-12(11)21-14-9(4-3-7-13(14)22(25)26)8-10-15(21)19-17(24)20-16(10)23/h1-8H,(H,20,23,24)
InChiKey: XSYUDYQSRHQEMM-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
Echinococcus granulosus	geminin	0.0166	0.9728	1
Echinococcus granulosus	heat shock protein	0.0045	0.1724	0.1106
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0038	0.1296	0.4109
Schistosoma mansoni	endoplasmin	0.0045	0.1724	0.1106
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0042	0.1542	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.1087	0.36
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1724	0.6196
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.1724	0.6758
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Plasmodium vivax	endoplasmin, putative	0.0045	0.1724	0.1074
Treponema pallidum	heat shock protein 90	0.0042	0.1542	0.5
Echinococcus multilocularis	geminin	0.0166	0.9728	1
Trichomonas vaginalis	heat shock protein, putative	0.0045	0.1724	1
Echinococcus granulosus	heat shock protein 90	0.0045	0.1724	0.1106
Echinococcus multilocularis	heat shock protein 90	0.0038	0.1296	0.063
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.1724	0.6758
Trypanosoma brucei	heat shock protein 90, putative	0.0045	0.1724	0.6196
Plasmodium falciparum	endoplasmin, putative	0.0033	0.0911	0.045
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.6487	1
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Toxoplasma gondii	Hsp90 domain-containing protein	0.017	1	1
Schistosoma mansoni	hypothetical protein	0.0166	0.9728	1
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Trypanosoma cruzi	heat shock protein 90, putative	0.0045	0.1724	0.6758
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0025	0.0377	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0057	0.2552	0.3166
Brugia malayi	MH2 domain containing protein	0.0117	0.6487	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1087	0.0398
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0057	0.2552	1
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.0911	0.345
Plasmodium vivax	heat shock protein 86, putative	0.0045	0.1724	0.1074
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0057	0.2552	1
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1087	0.0398
Schistosoma mansoni	endoplasmin	0.0045	0.1724	0.1106
Entamoeba histolytica	hypothetical protein	0.0035	0.1087	0.36
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.6487	1
Echinococcus granulosus	heat shock protein 90	0.0038	0.1296	0.063
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Echinococcus multilocularis	heat shock protein 90	0.0045	0.1724	0.1106
Echinococcus multilocularis	endoplasmin	0.0042	0.1542	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0933	0.0355
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Trypanosoma brucei	heat shock protein 90, putative	0.0045	0.1724	0.6196
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0045	0.1724	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0045	0.1724	0.6196
Trichomonas vaginalis	heat shock protein, putative	0.0038	0.1296	0.655
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0056	0.2488	0.9749
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1724	0.6196
Giardia lamblia	Grp94/Hsp90	0.0042	0.1542	0.7495
Toxoplasma gondii	heat shock protein HSP90	0.0045	0.1724	0.1074
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0057	0.2552	1
Loa Loa (eye worm)	heat shock protein 90	0.0045	0.1724	0.1729
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.0057	0.2552	0.2026
Trichomonas vaginalis	heat shock protein, putative	0.0042	0.1542	0.8533
Entamoeba histolytica	hypothetical protein	0.0035	0.1087	0.36
Trypanosoma cruzi	heat shock protein 90, putative	0.0038	0.1296	0.5078
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0025	0.0377	0.1477
Trypanosoma cruzi	Heat shock protein 83, putative	0.0045	0.1724	0.6758
Brugia malayi	Endoplasmin precursor	0.0045	0.1724	0.1729
Entamoeba histolytica	heat shock protein 90, putative	0.0045	0.1724	1
Onchocerca volvulus		0.0057	0.2552	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2488	0.3055
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0034	0.0997	0.2694
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1724	0.6196
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0056	0.2488	0.9749
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1724	0.6196
Trichomonas vaginalis	endoplasmin, putative	0.0033	0.0911	0.345
Plasmodium vivax	heat shock protein, putative	0.017	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0045	0.1724	1
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1724	0.6196
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Mycobacterium ulcerans	heat shock protein 90	0.0042	0.1542	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0056	0.2488	0.9706
Schistosoma mansoni	heat shock protein	0.0045	0.1724	0.1106
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1724	0.6196
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.0056	0.2488	0.9706
Trichomonas vaginalis	heat shock protein, putative	0.0042	0.1542	0.8533
Leishmania major	heat shock protein, putative	0.003	0.0729	0.1618
Echinococcus granulosus	endoplasmin	0.0042	0.1542	0.0904
Schistosoma mansoni	hypothetical protein	0.0166	0.9728	1
Plasmodium falciparum	heat shock protein 90	0.0045	0.1724	0.1305
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0057	0.2552	1
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1724	0.6196
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0038	0.1296	0.063
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.1724	0.6758
Toxoplasma gondii	heat shock protein 90, putative	0.0045	0.1724	0.1074
Brugia malayi	heat shock protein 90	0.0045	0.1724	0.1729
Trypanosoma cruzi	heat shock protein, putative	0.003	0.0729	0.2856
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.0057	0.2552	0.2026
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1087	0.0398
Schistosoma mansoni	heat shock protein	0.0045	0.1724	0.1106
Brugia malayi	hypothetical protein	0.0035	0.1087	0.0622
Entamoeba histolytica	hypothetical protein	0.0035	0.1087	0.36
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0042	0.1542	0.5
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0042	0.1542	0.5358
Schistosoma mansoni	6-phosphofructokinase	0.0057	0.2552	0.2026
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.1296	0.5078
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Echinococcus multilocularis	heat shock protein	0.0045	0.1724	0.1106
Trypanosoma brucei	heat shock protein 84, putative	0.003	0.0729	0.1618
Loa Loa (eye worm)	endoplasmin	0.0045	0.1724	0.1729
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0042	0.1542	0.5
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1724	0.6196
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Schistosoma mansoni	hypothetical protein	0.0035	0.1087	0.0398
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196
Leishmania major	heat shock protein 83-1	0.0045	0.1724	0.6196

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Inhibition of GST-tagged HDM2 (unknown origin) assessed as p53 ubiquitination by Western blot analysis	ChEMBL.	24113239

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: CHEMBL2440450

Bibliographic References

1 literature reference was 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 1792426