TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.339 | Formula: C20H15F3N2O4
H donors: 1 H acceptors: 2 LogP: 3.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)oc(=Nc1ccc(cc1)C(F)(F)F)c(c2)C(=O)NC(=O)C
InChi: 1S/C20H15F3N2O4/c1-11(26)24-18(27)16-9-12-3-8-15(28-2)10-17(12)29-19(16)25-14-6-4-13(5-7-14)20(21,22)23/h3-10H,1-2H3,(H,24,26,27)/b25-19-
InChiKey: XWGXEGRBLNXGAV-PLRJNAJWSA-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 multilocularis	FTZ F1 alpha	0.0009	0.0338	0.0338
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.01	0.7538	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0005	0.0029	0.0029
Brugia malayi	photoreceptor-specific nuclear receptor	0.0009	0.0338	0.0767
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0009	0.0338	0.0767
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0044	0.3083	1
Onchocerca volvulus		0.0009	0.0338	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0009	0.0338	0.0338
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0029	0.1874	0.2034
Schistosoma mansoni	RAR-like nuclear receptor	0.0009	0.0338	0.0338
Echinococcus granulosus	FTZ F1 alpha	0.0009	0.0338	0.0338
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0009	0.0338	0.0338
Onchocerca volvulus	Bile acid receptor homolog	0.0009	0.0338	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0007	0.0179	0.0405
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0006	0.0114	0.5
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0038	0.2614	0.2614
Schistosoma mansoni	hypothetical protein	0.0005	0.0029	0.0029
Brugia malayi	ecdysteroid receptor	0.0009	0.0338	0.0767
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0009	0.0338	0.0767
Brugia malayi	intermediate filament protein	0.0007	0.0179	0.0405
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0009	0.0338	0.0767
Giardia lamblia	DNA repair protein RAD52	0.01	0.7538	1
Mycobacterium ulcerans	hypothetical protein	0.0044	0.3083	1
Brugia malayi	hypothetical protein	0.0005	0.0029	0.0065
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0009	0.0338	0.0767
Loa Loa (eye worm)	intermediate filament protein	0.0007	0.0179	0.0405
Schistosoma mansoni	hypothetical protein	0.0132	1	1
Brugia malayi	nuclear receptor NHR-88	0.0009	0.0338	0.0767
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0009	0.0338	0.0338
Echinococcus multilocularis	geminin	0.0132	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0009	0.0338	0.0767
Brugia malayi	Steroid receptor seven-up type 2	0.0009	0.0338	0.0767
Echinococcus granulosus	Polycystic kidney disease protein	0.0005	0.0029	0.0029
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0009	0.0338	0.0338
Onchocerca volvulus	Protein ultraspiracle homolog	0.0009	0.0338	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0009	0.0338	0.0767
Onchocerca volvulus		0.0007	0.0179	0.4846
Schistosoma mansoni	loxhd1	0.0005	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0179	0.0405
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0009	0.0338	0.0767
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0009	0.0338	0.0338
Plasmodium falciparum	histone acetyltransferase GCN5	0.001	0.0428	1
Brugia malayi	nuclear hormone receptor	0.0009	0.0338	0.0767
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0011	0.0502	1
Onchocerca volvulus		0.0007	0.0179	0.4846
Schistosoma mansoni	hypothetical protein	0.0132	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0009	0.0338	0.0767
Brugia malayi	steroid hormone receptor	0.0009	0.0338	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0338	0.0767
Schistosoma mansoni	lamin	0.0007	0.0179	0.0179
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0009	0.0338	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0338	0.0767
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.0338	0.0338
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0009	0.0338	0.0338
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0009	0.0338	0.0338
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0061	0.4403	1
Schistosoma mansoni	coup transcription factor	0.0009	0.0338	0.0338
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0005	0.0029	0.0029
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0044	0.3083	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0011	0.0502	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0031	0.2057	0.2057
Echinococcus multilocularis	musashi	0.0007	0.0179	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0338	0.0767
Loa Loa (eye worm)	steroid hormone receptor	0.0009	0.0338	0.0767
Echinococcus granulosus	lamin	0.0007	0.0179	0.0179
Mycobacterium tuberculosis	Probable aminotransferase	0.0044	0.3083	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0009	0.0338	0.0767
Echinococcus multilocularis	ornithine aminotransferase	0.0006	0.0114	0.0114
Echinococcus multilocularis	RUN	0.0005	0.0029	0.0029
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0006	0.0114	0.0114
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0009	0.0338	0.0338
Schistosoma mansoni	lipoxygenase	0.0022	0.1324	0.1324
Echinococcus granulosus	RUN	0.0005	0.0029	0.0029
Brugia malayi	follicle stimulating hormone receptor	0.0061	0.4403	1
Brugia malayi	hypothetical protein	0.0005	0.0029	0.0065
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0038	0.2614	0.2614
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0009	0.0338	0.0767
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0009	0.0338	0.0767
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0009	0.0338	0.0767
Schistosoma mansoni	polycystin 1-related	0.0005	0.0029	0.0029
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0044	0.3083	1
Echinococcus granulosus	lamin dm0	0.0007	0.0179	0.0179
Schistosoma mansoni	lipoxygenase	0.0031	0.2057	0.2057
Echinococcus granulosus	ornithine aminotransferase	0.0006	0.0114	0.0114
Echinococcus granulosus	ecdysone induced protein 78C	0.0009	0.0338	0.0338
Schistosoma mansoni	nuclear hormone receptor	0.0009	0.0338	0.0338
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0009	0.0338	0.0338
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.0338	0.0338
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0007	0.0179	0.0405
Echinococcus multilocularis	Aminotransferase class III	0.0006	0.0114	0.0114
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0006	0.0114	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.0338	0.0338
Brugia malayi	Doublecortin family protein	0.0005	0.0029	0.0065
Schistosoma mansoni	hypothetical protein	0.0025	0.1612	0.1612
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0009	0.0338	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0168	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0338	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0338	0.0767
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0009	0.0338	0.0338
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0009	0.0338	0.0767
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0011	0.0502	1
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0006	0.0114	0.0259
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0037	0.253	0.253
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0338	0.0767
Echinococcus multilocularis	ornithine aminotransferase	0.0006	0.0114	0.0114
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0009	0.0338	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0009	0.0338	0.0767
Echinococcus multilocularis	lamin dm0	0.0007	0.0179	0.0179
Loa Loa (eye worm)	acetyltransferase	0.0038	0.2614	0.5936
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0009	0.0338	0.0338
Plasmodium vivax	ornithine aminotransferase, putative	0.0006	0.0114	0.1799
Schistosoma mansoni	rab6-interacting	0.0005	0.0029	0.0029
Schistosoma mansoni	retinoic acid receptor RXR	0.0009	0.0338	0.0338
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0011	0.0502	0.0502
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0009	0.0338	0.0338
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0009	0.0338	0.0338
Brugia malayi	Nuclear hormone receptor-like 1	0.0009	0.0338	0.0767
Entamoeba histolytica	hypothetical protein	0.0029	0.1874	0.2034
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0005	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0029	0.0065
Echinococcus granulosus	lipoxygenase domain containing protein	0.0005	0.0029	0.0029
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0009	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0338	0.0767
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0031	0.2057	0.2057
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0009	0.0338	0.0338
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0009	0.0338	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0338	0.0767
Brugia malayi	acetyltransferase, GNAT family protein	0.0038	0.2614	0.5936
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0009	0.0338	0.0338
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0009	0.0338	0.0767
Schistosoma mansoni	thyroid hormone receptor	0.0009	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0029	0.0065
Schistosoma mansoni	intermediate filament proteins	0.0007	0.0179	0.0179
Echinococcus granulosus	Aminotransferase class III	0.0006	0.0114	0.0114
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0009	0.0338	0.0767
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.0338	0.0338
Schistosoma mansoni	thyroid hormone receptor	0.0009	0.0338	0.0338
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0009	0.0338	0.0767
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0009	0.0338	0.0338
Schistosoma mansoni	lamin	0.0007	0.0179	0.0179
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0044	0.3083	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0005	0.0029	0.0029
Loa Loa (eye worm)	doublecortin family protein	0.0005	0.0029	0.0065
Echinococcus multilocularis	lamin	0.0007	0.0179	0.0179
Echinococcus granulosus	intermediate filament protein	0.0007	0.0179	0.0179
Schistosoma mansoni	rab6-interacting	0.0005	0.0029	0.0029
Plasmodium falciparum	ornithine aminotransferase	0.0006	0.0114	0.2129
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0009	0.0338	0.0338

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 655270