TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.435 | Formula: C17H23F3N2O5S
H donors: 2 H acceptors: 4 LogP: -0.02 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(F)(F)F.CCN1CC2(CCNCC2)COc2c(S1(=O)=O)cccc2
InChi: 1S/C15H22N2O3S.C2HF3O2/c1-2-17-11-15(7-9-16-10-8-15)12-20-13-5-3-4-6-14(13)21(17,18)19;3-2(4,5)1(6)7/h3-6,16H,2,7-12H2,1H3;(H,6,7)
InChiKey: GBMAEMZSADYZSI-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
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0389	0.0397
Loa Loa (eye worm)	pax transcription factor protein 2	0.017	0.5909	0.607
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0389	0.0389
Brugia malayi	ecdysteroid receptor	0.0021	0.0389	0.04
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0389	0.0389
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0177	0.619	0.619
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0177	0.619	1
Brugia malayi	hypothetical protein	0.0026	0.057	0.0586
Onchocerca volvulus		0.0021	0.0404	0.0025
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0177	0.619	1
Brugia malayi	hypothetical protein	0.0011	0.0027	0.0028
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0011	0.0038	0.0035
Toxoplasma gondii	6-phosphofructokinase	0.0028	0.0645	0.0987
Loa Loa (eye worm)	6-phosphofructokinase	0.0102	0.3411	0.3503
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0027	0.0027
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0389	0.0389
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0389	0.04
Brugia malayi	Isocitrate dehydrogenase	0.0011	0.0038	0.0039
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0645	0.0416
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0102	0.3411	0.5483
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0011	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0027	0.0024
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0021	0.0404	0.0596
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0011	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0027	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0389	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0404	0.0412
Leishmania major	protein kinase, putative	0.0021	0.0404	0.0596
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0389	0.0389
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0177	0.619	0.619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0389	0.0397
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0389	0.04
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0021	0.0404	0.0404
Loa Loa (eye worm)	6-phosphofructokinase	0.0102	0.3411	0.3503
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0389	0.04
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0389	0.0389
Plasmodium vivax	RNA helicase-1, putative	0.0177	0.619	1
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0021	0.0404	0.0596
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0028	0.0645	0.0987
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0389	0.0389
Schistosoma mansoni	transcription factor LCR-F1	0.0026	0.057	0.057
Mycobacterium ulcerans	6-phosphofructokinase	0.0102	0.3411	1
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0028	0.0645	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0389	0.0397
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0021	0.0404	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0177	0.619	0.636
Echinococcus multilocularis	isocitrate dehydrogenase	0.0011	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0027	0.0024
Entamoeba histolytica	phosphofructokinase, putative	0.0102	0.3411	0.5055
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0389	0.0389
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0389	0.0389
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0389	0.0389
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0252	0.8948	0.9195
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0177	0.619	0.619
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0389	0.0397
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0027	0.0028
Leishmania major	ATP-dependent phosphofructokinase	0.0102	0.3411	0.5483
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0389	0.04
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0389	0.04
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0389	0.0397
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0389	0.0389
Brugia malayi	Pax transcription factor protein 2	0.017	0.5909	0.6072
Plasmodium vivax	6-phosphofructokinase, putative	0.0028	0.0645	0.0987
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0028	0.0645	1
Echinococcus multilocularis	6 phosphofructokinase	0.0102	0.3411	0.3411
Trichomonas vaginalis	phosphofructokinase, putative	0.0102	0.3411	0.5197
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0011	0.0038	0.0038
Entamoeba histolytica	phosphofructokinase, putative	0.0102	0.3411	0.5055
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0645	0.0416
Brugia malayi	hypothetical protein	0.0011	0.0027	0.0028
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0389	0.04
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0389	0.0389
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0389	0.0389
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0389	0.0389
Toxoplasma gondii	phosphofructokinase PFKII	0.0028	0.0645	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0389	0.0397
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0389	0.0397
Schistosoma mansoni	6-phosphofructokinase	0.0102	0.3411	0.3411
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0011	0.0038	0.0038
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0389	0.0389
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0389	0.04
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0021	0.0404	0.0596
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0645	0.0416
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0028	0.0645	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0027	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0389	0.0397
Brugia malayi	nuclear hormone receptor	0.0021	0.0389	0.04
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0389	0.0389
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0102	0.3411	0.5483
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0645	0.0416
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0027	0.0028
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0389	0.0397
Schistosoma mansoni	6-phosphofructokinase	0.0102	0.3411	0.3411
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0389	0.04
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0177	0.619	0.619
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0177	0.619	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0389	0.0389
Brugia malayi	nuclear receptor RXR	0.0011	0.0027	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0389	0.0397
Brugia malayi	steroid hormone receptor	0.0021	0.0389	0.04
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0389	0.0389
Plasmodium vivax	6-phosphofructokinase, putative	0.0028	0.0645	0.0987
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0028	0.0645	0.0987
Echinococcus granulosus	Ankyrin	0.001	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0389	0.04
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0389	0.04
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0389	0.0389
Onchocerca volvulus		0.017	0.5909	0.9515
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0389	0.0397
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0645	0.0416
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0011	0.0038	0.0038
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0177	0.619	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0389	0.0389
Trichomonas vaginalis	phosphofructokinase, putative	0.0102	0.3411	0.5197
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0028	0.0645	0.0987
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0011	0.0038	0.0038
Brugia malayi	isocitrate dehydrogenase	0.0011	0.0038	0.0039
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0389	0.0389
Echinococcus granulosus	single minded 2	0.006	0.1851	0.1851
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0021	0.0404	0.0596
Trichomonas vaginalis	phosphofructokinase, putative	0.0102	0.3411	0.5197
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0177	0.619	1
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0021	0.0404	0.0404
Trichomonas vaginalis	phosphofructokinase, putative	0.0028	0.0645	0.0416
Treponema pallidum	ATP-dependent RNA helicase	0.0177	0.619	1
Echinococcus granulosus	6 phosphofructokinase	0.0102	0.3411	0.3411
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0389	0.0389
Schistosoma mansoni	hypothetical protein	0.028	1	1
Brugia malayi	6-phosphofructokinase	0.0102	0.3411	0.3505
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0177	0.619	1
Loa Loa (eye worm)	phosphofructokinase	0.0102	0.3411	0.3503
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0177	0.619	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0389	0.04
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0102	0.3411	0.4989
Echinococcus multilocularis	transfer RNA-Lys	0.006	0.1851	0.1851
Brugia malayi	hypoxia-induced factor 1	0.0252	0.8948	0.9195
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0389	0.04
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0389	0.04
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0011	0.0038	0.0038
Leishmania major	protein kinase, putative	0.0021	0.0404	0.0596
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0389	0.0389
Brugia malayi	bHLH-PAS transcription factor	0.006	0.1851	0.1902
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0389	0.04
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0102	0.3411	0.5483
Schistosoma mansoni	aryl hydrocarbon receptor	0.0081	0.2634	0.2634
Onchocerca volvulus		0.006	0.1851	0.252
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0177	0.619	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0011	0.0038	0.0038
Brugia malayi	6-phosphofructokinase	0.0102	0.3411	0.3505
Schistosoma mansoni	coup transcription factor	0.0021	0.0389	0.0389
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0389	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0027	0.0024
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.001	0.0003	0.0003
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0389	0.0389
Echinococcus multilocularis	Ankyrin	0.001	0.0003	0.0003
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0011	0.0027	0.0024
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0021	0.0404	0.0596
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0389	0.0397
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0389	0.04
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0021	0.0404	0.0404
Echinococcus granulosus	aryl hydrocarbon receptor	0.0021	0.0404	0.0404
Brugia malayi	eukaryotic initiation factor 4A	0.0177	0.619	0.6361
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0028	0.0645	0.0133
Entamoeba histolytica	phosphofructokinase, putative	0.0102	0.3411	0.5055
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0389	0.0389
Leishmania major	eukaryotic initiation factor 4a, putative	0.0177	0.619	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0177	0.619	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0389	0.04
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0389	0.0389
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0177	0.619	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0026	0.057	0.057
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0157	0.5449	0.5449
Loa Loa (eye worm)	hypothetical protein	0.0273	0.9731	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0102	0.3411	0.5197
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0389	0.0397
Schistosoma mansoni	single-minded	0.0081	0.2634	0.2634
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0011	0.0027	0.0027
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0177	0.619	0.619
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0389	0.0389
Schistosoma mansoni	hypothetical protein	0.0026	0.057	0.057
Brugia malayi	phosphofructokinase	0.0102	0.3411	0.3505
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0021	0.0404	0.0596
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0102	0.3411	1
Echinococcus multilocularis	geminin	0.028	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0026	0.057	0.057
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0157	0.5449	0.5449
Leishmania major	eukaryotic initiation factor 4a, putative	0.0177	0.619	1
Brugia malayi	PAS domain containing protein	0.0081	0.2634	0.2707
Brugia malayi	hypothetical protein	0.0273	0.9731	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0389	0.0389
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0177	0.619	0.619
Schistosoma mansoni	hypothetical protein	0.028	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0389	0.0397
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0389	0.0389
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0021	0.0404	0.0412
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0177	0.619	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0389	0.0397
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0389	0.04
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0389	0.0389
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0177	0.619	1

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: CHEMBL3501039

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 2077969