TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 327.274 | Formula: C16H13F4NO2
H donors: 1 H acceptors: 1 LogP: 4.36 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: FC(C(COc1ccc(cc1)N=Cc1ccccc1O)(F)F)F
InChi: 1S/C16H13F4NO2/c17-15(18)16(19,20)10-23-13-7-5-12(6-8-13)21-9-11-3-1-2-4-14(11)22/h1-9,15,22H,10H2/b21-9+
InChiKey: ZFVWPDMDQKTNOG-ZVBGSRNCSA-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
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.1041	0.5058
Echinococcus multilocularis	lamin dm0	0.0053	0.0156	0.0087
Schistosoma mansoni	intermediate filament proteins	0.0053	0.0156	0.0614
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0258	0.1442	0.9882
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0195	0.1041	0.7133
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0053	0.0154	0.0085
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0785	0.4748	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.007	0.0478
Loa Loa (eye worm)	beta-lactamase	0.004	0.007	0.0478
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0785	0.4748	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.007	0.0478
Echinococcus multilocularis	lamin	0.0053	0.0156	0.0087
Onchocerca volvulus		0.0053	0.0155	0.9854
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.019	0.0783
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.019	0.0256
Loa Loa (eye worm)	hypothetical protein	0.004	0.007	0.0478
Echinococcus multilocularis	musashi	0.0053	0.0156	0.0087
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0053	0.0154	1
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0053	0.0154	0.0284
Loa Loa (eye worm)	hypothetical protein	0.004	0.007	0.0478
Echinococcus multilocularis	neuropeptide s receptor	0.0513	0.3037	0.2988
Loa Loa (eye worm)	RNA binding protein	0.0195	0.1041	0.7133
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0053	0.0154	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0053	0.0154	0.018
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0155	0.1059
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0254	0.1415	0.2875
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0053	0.0154	0.018
Mycobacterium ulcerans	oxidoreductase	0.0053	0.0154	0.018
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.007	0.0182
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.1041	0.5058
Brugia malayi	Intermediate filament tail domain containing protein	0.0053	0.0156	0.1068
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0053	0.0154	0.018
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0053	0.0154	0.018
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.019	0.0121
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.019	0.0256
Schistosoma mansoni	dihydropteridine reductase	0.0053	0.0154	0.0605
Schistosoma mansoni	hypothetical protein	0.0351	0.2025	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.015	0.1026
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.019	0.0256
Mycobacterium tuberculosis	Possible oxidoreductase	0.0053	0.0154	0.018
Loa Loa (eye worm)	hypothetical protein	0.004	0.007	0.0478
Brugia malayi	beta-lactamase family protein	0.004	0.007	0.0478
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0132	0.0905
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0785	0.4748	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0053	0.0154	0.018
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.019	0.0783
Brugia malayi	MH2 domain containing protein	0.0119	0.0567	0.3887
Leishmania major	pteridine reductase 1	0.0053	0.0154	0.7027
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0155	0.0608
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0053	0.0154	0.7027
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0053	0.0154	0.018
Schistosoma mansoni	hypothetical protein	0.0053	0.0155	0.0608
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.019	0.0256
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0053	0.0154	0.018
Mycobacterium tuberculosis	Possible oxidoreductase	0.0053	0.0154	0.018
Schistosoma mansoni	hypothetical protein	0.0351	0.2025	1
Brugia malayi	beta-lactamase	0.004	0.007	0.0478
Loa Loa (eye worm)	TAR-binding protein	0.0195	0.1041	0.7133
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Schistosoma mansoni	lamin	0.0053	0.0156	0.0614
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0154	0.1055
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0053	0.0154	0.1055
Brugia malayi	hypothetical protein	0.0261	0.1459	1
Mycobacterium leprae	POSSIBLE OXIDOREDUCTASE	0.0053	0.0154	0.018
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0053	0.0154	0.1055
Brugia malayi	TAR-binding protein	0.0195	0.1041	0.7133
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.0567	0.3887
Echinococcus granulosus	lamin	0.0053	0.0156	0.029
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0785	0.4748	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.1041	0.5058
Echinococcus granulosus	tar DNA binding protein	0.0195	0.1041	0.3273
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0053	0.0154	0.7027
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Onchocerca volvulus		0.0053	0.0154	0.9779
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0053	0.0154	0.7027
Echinococcus multilocularis	survival motor neuron protein 1	0.0261	0.1459	0.1399
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0033	0.0229
Onchocerca volvulus		0.0053	0.0156	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0053	0.0156	0.1068
Brugia malayi	beta-lactamase family protein	0.004	0.007	0.0478
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Echinococcus granulosus	geminin	0.0351	0.2025	0.6591
Echinococcus granulosus	neuropeptide receptor A26	0.0513	0.3037	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.019	0.0256
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0033	0.0229
Echinococcus granulosus	lamin dm0	0.0053	0.0156	0.029
Brugia malayi	RNA binding protein	0.0195	0.1041	0.7133
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0053	0.0154	0.018
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0053	0.0154	0.018
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0154	0.1055
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Trypanosoma brucei	oxidoreductase-like protein	0.0053	0.0154	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.019	0.0403
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0053	0.0154	0.018
Echinococcus multilocularis	neuropeptide receptor A26	0.0513	0.3037	0.2988
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0785	0.4748	1
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.1041	0.5058
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.007	0.0182
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0053	0.0154	0.018
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0053	0.0154	0.018
Echinococcus multilocularis	tar DNA binding protein	0.0195	0.1041	0.0978
Onchocerca volvulus		0.0053	0.0156	1
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0053	0.0154	0.0605
Loa Loa (eye worm)	hypothetical protein	0.004	0.007	0.0478
Onchocerca volvulus		0.0053	0.0154	0.9779
Loa Loa (eye worm)	intermediate filament protein	0.0053	0.0156	0.1068
Trypanosoma brucei	pteridine reductase 1	0.0053	0.0154	1
Trichomonas vaginalis	hypothetical protein	0.0785	0.4748	1
Brugia malayi	intermediate filament protein	0.0053	0.0156	0.1068
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0053	0.0154	0.5
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0785	0.4748	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0053	0.0154	0.018
Leishmania major	oxidoreductase-like protein	0.0053	0.0154	0.7027
Echinococcus granulosus	survival motor neuron protein 1	0.0261	0.1459	0.4684
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0053	0.0154	0.018
Loa Loa (eye worm)	hypothetical protein	0.005	0.0132	0.0905
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0053	0.0154	0.018
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0053	0.0154	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Loa Loa (eye worm)	oxidoreductase	0.0053	0.0154	0.1055
Echinococcus granulosus	intermediate filament protein	0.0053	0.0156	0.029
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0785	0.4748	1
Echinococcus multilocularis	geminin	0.0351	0.2025	0.1969
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.0567	0.3887
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Brugia malayi	RNA recognition motif domain containing protein	0.0195	0.1041	0.7133
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.1041	0.5058
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0053	0.0154	0.018
Echinococcus granulosus	neuropeptide s receptor	0.0513	0.3037	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.007	0.0478
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.019	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0156	0.1068
Loa Loa (eye worm)	hypothetical protein	0.004	0.007	0.0478
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0053	0.0154	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0132	0.0905
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0053	0.0154	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0261	0.1459	1
Schistosoma mansoni	lamin	0.0053	0.0156	0.0614
Brugia malayi	follicle stimulating hormone receptor	0.0258	0.1442	0.9882
Mycobacterium ulcerans	short chain dehydrogenase	0.0053	0.0154	0.018
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0132	0.0905
Mycobacterium leprae	3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI	0.0053	0.0154	0.018
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0053	0.0154	0.018
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0785	0.4748	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0053	0.0154	0.018

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 795891