TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.395 | Formula: C16H20F3NO4S
H donors: 0 H acceptors: 3 LogP: 2.8 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)C)C(=O)C1CCCN(C1)S(=O)(=O)CC(F)(F)F
InChi: 1S/C16H20F3NO4S/c1-11-8-13(24-2)5-6-14(11)15(21)12-4-3-7-20(9-12)25(22,23)10-16(17,18)19/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChiKey: ARNWWIOXRCMRTN-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
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0518	0.0518
Onchocerca volvulus		0.005	0.1522	0.5183
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0564	0.0564
Brugia malayi	RNA binding protein	0.0063	0.2058	0.2058
Loa Loa (eye worm)	hypothetical protein	0.0089	0.3195	0.3195
Schistosoma mansoni	hypothetical protein	0.0177	0.6981	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0135	0.516	0.4896
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0564	0.0564
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.0518	0.0518
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.0518	0.0518
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.012	0.4543	0.4244
Entamoeba histolytica	hypothetical protein	0.0073	0.2508	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.2084	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.2084	0.2423
Onchocerca volvulus		0.0028	0.0564	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0564	0.0564
Echinococcus multilocularis	geminin	0.0177	0.6981	0.6816
Entamoeba histolytica	hypothetical protein	0.0073	0.2508	0.5
Echinococcus granulosus	intermediate filament protein	0.0028	0.0564	0.0048
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0092	0.3304	0.2937
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.0518	0.0518
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0518	0.0518
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.0518	0.0518
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.2084	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.2508	0.2099
Onchocerca volvulus		0.0028	0.0564	0.0236
Schistosoma mansoni	retinoic acid receptor RXR	0.0135	0.516	0.7182
Loa Loa (eye worm)	hypothetical protein	0.0247	1	1
Schistosoma mansoni	jun-related protein	0.0074	0.2563	0.3163
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0518	0.0518
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.0518	0.0518
Schistosoma mansoni	hypothetical protein	0.0074	0.2563	0.3163
Schistosoma mansoni	hypothetical protein	0.0177	0.6981	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0542	0.0542
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.0518	0.0518
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.0518	0.0518
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.2058	0.1624
Echinococcus multilocularis	lamin	0.0028	0.0564	0.0048
Entamoeba histolytica	hypothetical protein	0.0073	0.2508	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.2058	0.2058
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0518	0.0518
Brugia malayi	hypothetical protein	0.0072	0.2454	0.2454
Echinococcus multilocularis	lamin dm0	0.0028	0.0564	0.0048
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.0518	0.0518
Brugia malayi	bZIP transcription factor family protein	0.0092	0.3304	0.3304
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.0518	0.0518
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.2084	0.2423
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0092	0.3304	0.2937
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.2084	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0564	0.0564
Schistosoma mansoni	hypothetical protein	0.005	0.1522	0.1552
Echinococcus granulosus	lamin	0.0028	0.0564	0.0048
Brugia malayi	steroid hormone receptor	0.0027	0.0518	0.0518
Echinococcus granulosus	survival motor neuron protein 1	0.0247	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2058	0.2382
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.0518	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0518	0.0518
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.0518	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0518	0.0518
Echinococcus granulosus	jun protein	0.0092	0.3304	0.2937
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0518	0.0518
Onchocerca volvulus		0.0072	0.2454	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.0518	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0518	0.0518
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.2084	0.5
Echinococcus granulosus	tar DNA binding protein	0.0063	0.2058	0.1624
Schistosoma mansoni	lamin	0.0028	0.0564	0.0071
Echinococcus granulosus	lamin dm0	0.0028	0.0564	0.0048
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.1522	0.1522
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0518	0.0518
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.2058	0.2058
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.2084	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2058	0.2382
Loa Loa (eye worm)	RNA binding protein	0.0063	0.2058	0.2058
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0518	0.0518
Brugia malayi	intermediate filament protein	0.0028	0.0564	0.0564
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2058	0.2382
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.2084	0.5
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0564	0.0071
Brugia malayi	TAR-binding protein	0.0063	0.2058	0.2058
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0518	0.0518
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.0518	0.0518
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.2084	0.1651
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.2084	0.1651
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0518	0.0518
Echinococcus multilocularis	musashi	0.0028	0.0564	0.0048
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.2508	0.2099
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2058	0.2382
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.0518	0.0518
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.0518	0.0518
Echinococcus multilocularis	survival motor neuron protein 1	0.0247	1	1
Brugia malayi	hypothetical protein	0.0073	0.2508	0.2508
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0518	0.0518
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0518	0.0518
Brugia malayi	nuclear hormone receptor	0.0027	0.0518	0.0518
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0518	0.0518
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.2058	0.2058
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.2508	0.3079
Schistosoma mansoni	hypothetical protein	0.0073	0.2508	0.3079
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0518	0.0518
Schistosoma mansoni	survival motor neuron protein	0.005	0.1522	0.1552
Brugia malayi	ecdysteroid receptor	0.0027	0.0518	0.0518
Entamoeba histolytica	hypothetical protein	0.0073	0.2508	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.0518	0.0518
Schistosoma mansoni	lamin	0.0028	0.0564	0.0071
Echinococcus granulosus	geminin	0.0177	0.6981	0.6816
Echinococcus multilocularis	jun protein	0.0092	0.3304	0.2937
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.0518	0.0518
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2058	0.2382

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 755822