TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 454.398 | Formula: C24H17F3N2O4
H donors: 1 H acceptors: 3 LogP: 4.3 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C(F)(F)F)CCc1ccc(cc1)N
InChi: 1S/C24H17F3N2O4/c25-24(26,27)15-4-8-17(9-5-15)29-22(31)19-11-10-18(13-20(19)23(29)32)33-21(30)12-3-14-1-6-16(28)7-2-14/h1-2,4-11,13H,3,12,28H2
InChiKey: DDBWPJQJRZDACZ-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 multilocularis	SWI:SNF matrix associated	0.0096	0.8599	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0367	0.0367
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.011	1	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0034	0.2564	0.2982
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0367	0.0426
Brugia malayi	brahma associated protein 60 kDa	0.0096	0.8599	0.8599
Loa Loa (eye worm)	hypothetical protein	0.0034	0.2564	0.2564
Echinococcus multilocularis	ring and YY1 binding protein	0.0034	0.2564	0.2982
Loa Loa (eye worm)	brahma associated protein	0.0096	0.8599	0.8599
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0367	0.0367
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0367	0.0367
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0367	0.0367
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0367	0.0426
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0367	0.0426
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0034	0.2564	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0367	0.0426
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0367	0.0426
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0034	0.2564	0.5
Brugia malayi	steroid hormone receptor	0.0012	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0367	0.0367
Echinococcus granulosus	ring and YY1 binding protein	0.0034	0.2564	0.2982
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0367	0.0367
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0367	0.0426
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0367	0.0367
Echinococcus granulosus	zinc finger protein Ran binding	0.0034	0.2564	0.2982
Brugia malayi	nuclear hormone receptor	0.0012	0.0367	0.0367
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0367	0.0367
Echinococcus granulosus	Zinc finger RanBP2 type	0.0034	0.2564	0.2982
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0367	0.0426
Onchocerca volvulus		0.0034	0.2564	0.2982
Leishmania major	hypothetical protein, conserved	0.0034	0.2564	0.5
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0096	0.8599	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0367	0.0367
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0096	0.8599	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0034	0.2564	0.5
Leishmania major	hypothetical protein, conserved	0.0034	0.2564	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.2564	0.2564
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0367	0.0426
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0367	0.0426
Onchocerca volvulus		0.0034	0.2564	0.2982
Echinococcus multilocularis	SWI:SNF matrix associated	0.0096	0.8599	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0096	0.8599	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0034	0.2564	0.5
Schistosoma mansoni	zinc finger protein	0.0034	0.2564	0.2982
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0367	0.0367
Schistosoma mansoni	RNA binding protein	0.0034	0.2564	0.2982
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0367	0.0426
Echinococcus granulosus	SWI:SNF matrix associated	0.0096	0.8599	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0367	0.0426
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0367	0.0426
Chlamydia trachomatis	SWIB complex protein	0.0096	0.8599	0.5
Onchocerca volvulus		0.0096	0.8599	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.2564	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.2884	0.3354
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0367	0.0426
Schistosoma mansoni	hypothetical protein	0.0096	0.8599	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0034	0.2564	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0367	0.0426
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0096	0.8599	0.5
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0096	0.8599	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0034	0.2564	0.2564
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0367	0.0426
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.8599	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0367	0.0426
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0367	0.0367
Onchocerca volvulus		0.0012	0.0367	0.0426
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.2564	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0367	0.0367
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0367	0.0426
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0367	0.0367
Entamoeba histolytica	hypothetical protein	0.0037	0.2884	0.5
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0034	0.2564	0.2982
Chlamydia trachomatis	DNA topoisomerase I	0.0096	0.8599	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0367	0.0367
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0367	0.0426
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0034	0.2564	0.2564
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0367	0.0426
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0367	0.0367
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0367	0.0367
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0367	0.0426
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.2564	0.5
Entamoeba histolytica	hypothetical protein	0.0037	0.2884	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0096	0.8599	0.8599
Trypanosoma brucei	hypothetical protein, conserved	0.0034	0.2564	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0367	0.0367
Trypanosoma cruzi	WLM domain containing protein, putative	0.0034	0.2564	0.5
Schistosoma mansoni	hypothetical protein	0.0096	0.8599	1
Onchocerca volvulus		0.0034	0.2564	0.2982
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0034	0.2564	0.2982
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0367	0.0367
Schistosoma mansoni	fusion	0.0034	0.2564	0.2982
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0034	0.2564	0.5
Leishmania major	hypothetical protein, conserved	0.0034	0.2564	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0096	0.8599	0.8599
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0034	0.2564	0.2564
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0367	0.0426
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0367	0.0426
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0034	0.2564	0.2564
Schistosoma mansoni	hypothetical protein	0.0037	0.2884	0.3354
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0034	0.2564	0.2564
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0367	0.0426
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0367	0.0426
Schistosoma mansoni	hypothetical protein	0.0034	0.2564	0.2982
Trypanosoma brucei	hypothetical protein, conserved	0.0034	0.2564	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.2884	0.3354
Loa Loa (eye worm)	hypothetical protein	0.0034	0.2564	0.2564
Schistosoma mansoni	hypothetical protein	0.0096	0.8599	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0367	0.0426
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0367	0.0367
Brugia malayi	SWIB/MDM2 domain containing protein	0.0096	0.8599	0.8599
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0034	0.2564	0.2564
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0367	0.0426
Brugia malayi	YY1-associated factor 2	0.0034	0.2564	0.2564
Brugia malayi	hypothetical protein	0.0037	0.2884	0.2884
Loa Loa (eye worm)	hypothetical protein	0.0107	0.9646	0.9646
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0367	0.0426
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.2884	0.3354
Brugia malayi	ecdysteroid receptor	0.0012	0.0367	0.0367
Entamoeba histolytica	hypothetical protein	0.0037	0.2884	0.5
Leishmania major	hypothetical protein, conserved	0.0034	0.2564	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0367	0.0367
Schistosoma mansoni	TRABID protein (C64 family)	0.0034	0.2564	0.2982
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0367	0.0367
Schistosoma mansoni	coup transcription factor	0.0012	0.0367	0.0426
Trypanosoma cruzi	WLM domain containing protein, putative	0.0034	0.2564	0.5
Schistosoma mansoni	brg-1 associated factor	0.0096	0.8599	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0096	0.8599	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0367	0.0367
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0034	0.2564	0.5
Leishmania major	hypothetical protein, conserved	0.0034	0.2564	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0367	0.0367
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0367	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0367	0.0367
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0367	0.0367
Entamoeba histolytica	hypothetical protein	0.0037	0.2884	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0367	0.0367
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0367	0.0426
Plasmodium vivax	hypothetical protein, conserved	0.0096	0.8599	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0096	0.8599	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0096	0.8599	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0367	0.0426
Onchocerca volvulus		0.0034	0.2564	0.2982
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0367	0.0426
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0367	0.0426
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0034	0.2564	0.2982
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0367	0.0367
Echinococcus multilocularis	zinc finger protein Ran binding	0.0034	0.2564	0.2982
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0367	0.0426

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: CHEMBL1173766

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1169953