TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 345.357 | Formula: C17H22F3NO3
H donors: 1 H acceptors: 1 LogP: 2.13 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(c1cccc(c1)C(F)(F)F)(CN1CCC2(CC1)OCCO2)O
InChi: 1S/C17H22F3NO3/c1-15(22,13-3-2-4-14(11-13)17(18,19)20)12-21-7-5-16(6-8-21)23-9-10-24-16/h2-4,11,22H,5-10,12H2,1H3
InChiKey: SJDWPBXIXYXYBT-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
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0066	0.2527	0.2527
Loa Loa (eye worm)	DR-78	0.0066	0.2527	0.3741
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.014	0.6755	0.6755
Loa Loa (eye worm)	hypothetical protein	0.014	0.6755	1
Schistosoma mansoni	retinoic acid receptor RXR	0.014	0.6755	0.6755
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0049	0.154	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0074	0.298	0.4411
Loa Loa (eye worm)	hypothetical protein	0.014	0.6755	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.014	0.6755	0.6755
Schistosoma mansoni	zinc finger protein	0.0066	0.2527	0.2527
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0066	0.2527	0.3741
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0066	0.2527	0.2527
Giardia lamblia	Synaptic glycoprotein SC2	0.0049	0.154	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.014	0.6755	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.014	0.6755	0.6755
Echinococcus granulosus	tar DNA binding protein	0.007	0.2744	0.2744
Brugia malayi	conserved hypotetical protein	0.0066	0.2527	0.3741
Echinococcus granulosus	intermediate filament protein	0.0031	0.0542	0.0542
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.014	0.6755	0.6755
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.014	0.6755	1
Brugia malayi	ecdysteroid receptor	0.014	0.6755	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2744	0.2744
Loa Loa (eye worm)	hypothetical protein	0.0049	0.154	0.2279
Loa Loa (eye worm)	hypothetical protein	0.014	0.6755	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0066	0.2527	0.3741
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.014	0.6755	0.6755
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0049	0.154	0.154
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.154	0.2279
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0049	0.154	0.154
Brugia malayi	nuclear receptor RXR	0.0074	0.298	0.4411
Brugia malayi	nuclear receptor NHR-88	0.014	0.6755	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0066	0.2527	0.2527
Brugia malayi	nuclear hormone receptor	0.014	0.6755	1
Onchocerca volvulus		0.0049	0.154	0.1606
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.014	0.6755	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0066	0.2527	0.2527
Loa Loa (eye worm)	hypothetical protein	0.0074	0.298	0.4411
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.014	0.6755	0.6755
Brugia malayi	Nuclear hormone receptor-like 1	0.0074	0.298	0.4411
Schistosoma mansoni	nuclear receptor	0.0066	0.2527	0.2527
Loa Loa (eye worm)	hypothetical protein	0.0074	0.298	0.4411
Echinococcus multilocularis	geminin	0.0196	1	1
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0049	0.154	0.2279
Schistosoma mansoni	RAR-like nuclear receptor	0.014	0.6755	0.6755
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Loa Loa (eye worm)	hypothetical protein	0.0074	0.298	0.4411
Loa Loa (eye worm)	hypothetical protein	0.014	0.6755	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.2744	0.4062
Echinococcus granulosus	thyroid hormone receptor alpha	0.0066	0.2527	0.2527
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.014	0.6755	0.6755
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Brugia malayi	orphan nuclear receptor NR2E1	0.0066	0.2527	0.3741
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0049	0.154	1
Schistosoma mansoni	nuclear hormone receptor	0.0066	0.2527	0.2527
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0066	0.2527	0.2527
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0	0.5
Entamoeba histolytica	hypothetical protein	0.0049	0.154	1
Brugia malayi	hypothetical protein	0.0066	0.2527	0.3741
Echinococcus multilocularis	ecdysone induced protein 78C	0.014	0.6755	0.6755
Schistosoma mansoni	nuclear receptor nhr-48	0.0066	0.2527	0.2527
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.014	0.6755	0.6755
Echinococcus multilocularis	tar DNA binding protein	0.007	0.2744	0.2744
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.014	0.6755	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.014	0.6755	1
Schistosoma mansoni	lamin	0.0031	0.0542	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Schistosoma mansoni	steroid hormone receptor ad4bp	0.014	0.6755	0.6755
Brugia malayi	ecdysone receptor	0.0066	0.2527	0.3741
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.014	0.6755	0.6755
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0074	0.298	0.298
Plasmodium vivax	polyprenol reductase, putative	0.0049	0.154	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0542	0.0802
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0049	0.154	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0066	0.2527	0.2527
Echinococcus granulosus	nuclear receptor nhr 48	0.0066	0.2527	0.2527
Echinococcus multilocularis	nuclear receptor nhr 48	0.0066	0.2527	0.2527
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.014	0.6755	0.6755
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.014	0.6755	1
Echinococcus granulosus	ecdysone induced protein 78C	0.014	0.6755	0.6755
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0049	0.154	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0066	0.2527	0.2527
Brugia malayi	tailless protein	0.0066	0.2527	0.3741
Brugia malayi	hypothetical protein	0.0066	0.2527	0.3741
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0066	0.2527	0.2527
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.014	0.6755	1
Schistosoma mansoni	coup transcription factor	0.014	0.6755	0.6755
Echinococcus granulosus	lamin dm0	0.0031	0.0542	0.0542
Brugia malayi	Steroid receptor seven-up type 2	0.014	0.6755	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2744	0.2744
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.014	0.6755	0.6755
Onchocerca volvulus		0.0066	0.2527	0.3195
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2744	0.2744
Echinococcus multilocularis	thyroid hormone receptor alpha	0.014	0.6755	0.6755
Loa Loa (eye worm)	hypothetical protein	0.014	0.6755	1
Echinococcus multilocularis	lamin dm0	0.0031	0.0542	0.0542
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.154	1
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Echinococcus multilocularis	musashi	0.0031	0.0542	0.0542
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.014	0.6755	0.6755
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.014	0.6755	0.6755
Brugia malayi	nuclear receptor NHR-67	0.0066	0.2527	0.3741
Brugia malayi	hypothetical protein	0.0074	0.298	0.4411
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0049	0.154	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.154	0.2279
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0066	0.2527	0.3195
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.014	0.6755	1
Brugia malayi	hypothetical protein	0.0074	0.298	0.4411
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.154	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.014	0.6755	0.6755
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.014	0.6755	1
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0049	0.154	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0066	0.2527	0.3195
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0542	0.0802
Brugia malayi	nuclear receptor NHR-88	0.0066	0.2527	0.3741
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.014	0.6755	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.014	0.6755	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0066	0.2527	0.2527
Brugia malayi	steroid hormone receptor	0.014	0.6755	1
Echinococcus multilocularis	lamin	0.0031	0.0542	0.0542
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2744	0.2744
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Onchocerca volvulus	Bile acid receptor homolog	0.014	0.6755	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0066	0.2527	0.3741
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.014	0.6755	0.6755
Plasmodium falciparum	polyprenol reductase, putative	0.0049	0.154	1
Brugia malayi	intermediate filament protein	0.0031	0.0542	0.0802
Brugia malayi	Synaptic glycoprotein SC2	0.0049	0.154	0.2279
Brugia malayi	RNA binding protein	0.007	0.2744	0.4062
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0049	0.154	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0074	0.298	0.298
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.014	0.6755	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.014	0.6755	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0066	0.2527	0.2527
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0049	0.154	0.154
Schistosoma mansoni	nuclear hormone receptor	0.014	0.6755	0.6755
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Loa Loa (eye worm)	nuclear hormone receptor	0.0066	0.2527	0.3741
Brugia malayi	nuclear receptor RXR	0.0066	0.2527	0.3741
Onchocerca volvulus	Protein ultraspiracle homolog	0.014	0.6755	1
Mycobacterium ulcerans	hypothetical protein	0.0049	0.154	1
Schistosoma mansoni	hypothetical protein	0.0196	1	1
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0049	0.154	1
Echinococcus granulosus	lamin	0.0031	0.0542	0.0542
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.014	0.6755	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0509	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0074	0.298	0.4411
Loa Loa (eye worm)	hypothetical protein	0.014	0.6755	1
Loa Loa (eye worm)	RNA binding protein	0.007	0.2744	0.4062
Onchocerca volvulus		0.014	0.6755	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.014	0.6755	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.014	0.6755	0.6755
Brugia malayi	nuclear hormone receptor	0.0066	0.2527	0.3741
Onchocerca volvulus		0.0066	0.2527	0.3195
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0049	0.154	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Schistosoma mansoni	hypothetical protein	0.0196	1	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.6755	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0066	0.2527	0.2527
Schistosoma mansoni	nuclear hormone receptor	0.0066	0.2527	0.2527
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.014	0.6755	1
Echinococcus granulosus	synaptic glycoprotein sc2	0.0049	0.154	0.154
Schistosoma mansoni	nuclear receptor	0.0066	0.2527	0.2527
Brugia malayi	Nuclear hormone receptor E75	0.0066	0.2527	0.3741
Schistosoma mansoni	tar DNA-binding protein	0.007	0.2744	0.2744
Brugia malayi	Nuclear hormone receptor E75	0.0066	0.2527	0.3741
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0049	0.154	0.154
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0074	0.298	0.298
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.2744	0.4062
Brugia malayi	TAR-binding protein	0.007	0.2744	0.4062
Loa Loa (eye worm)	hypothetical protein	0.014	0.6755	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0542	0.0802
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0049	0.154	1
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.014	0.6755	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.014	0.6755	1
Loa Loa (eye worm)	TAR-binding protein	0.007	0.2744	0.4062
Brugia malayi	nuclear hormone receptor family member odr-7	0.0066	0.2527	0.3741
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0049	0.154	0.154
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.014	0.6755	0.6755
Schistosoma mansoni	lamin	0.0031	0.0542	0.0542
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.014	0.6755	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.014	0.6755	1
Schistosoma mansoni	thyroid hormone receptor	0.014	0.6755	0.6755
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0066	0.2527	0.3741
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0074	0.298	0.298
Loa Loa (eye worm)	steroid hormone receptor	0.014	0.6755	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0074	0.298	0.4411
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0542	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0074	0.298	0.4411
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2527	0.3741
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.014	0.6755	0.6755
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0049	0.154	1
Echinococcus multilocularis	FTZ F1 alpha	0.014	0.6755	0.6755
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0022	0	0.5
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0542	0.0542
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0049	0.154	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.014	0.6755	1
Echinococcus granulosus	FTZ F1 alpha	0.014	0.6755	0.6755
Brugia malayi	Nuclear hormone receptor-like 1	0.014	0.6755	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.014	0.6755	1
Schistosoma mansoni	thyroid hormone receptor	0.014	0.6755	0.6755
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.014	0.6755	0.6755

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: CHEMBL3496696

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 2069937