TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 391.384 | Formula: C21H20F3NO3
H donors: 1 H acceptors: 1 LogP: 3.77 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1COCC1)NCC1Cc2c(O1)c(ccc2)c1ccccc1C(F)(F)F
InChi: 1S/C21H20F3NO3/c22-21(23,24)18-7-2-1-5-16(18)17-6-3-4-13-10-15(28-19(13)17)11-25-20(26)14-8-9-27-12-14/h1-7,14-15H,8-12H2,(H,25,26)
InChiKey: SASCNYZBLFROSP-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)	cytoplasmic intermediate filament protein	0.0015	0.0093	0.0398
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0356	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0458	0.0458
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.2344	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0162	0.0162
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0458	0.1619
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0909	0.3623
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0458	0.1619
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0458	0.0458
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0458	0.1619
Loa Loa (eye worm)	hypothetical protein	0.002	0.0458	0.1952
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0458	0.1952
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0356	0.0356
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0458	0.1619
Toxoplasma gondii	exonuclease III APE	0.0019	0.0356	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1334	0.5513
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0458	0.03
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0458	0.0458
Schistosoma mansoni	lamin	0.0027	0.0909	0.0759
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0909	0.3877
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0162	0.0692
Loa Loa (eye worm)	hypothetical protein	0.002	0.0458	0.1952
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0458	0.1952
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0458	0.0458
Schistosoma mansoni	hypothetical protein	0.017	1	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0356	0.1169
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0162	0.0162
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0458	0.1619
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0458	0.1952
Schistosoma mansoni	coup transcription factor	0.002	0.0458	0.03
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0458	0.0458
Echinococcus multilocularis	musashi	0.0027	0.0909	0.0909
Echinococcus granulosus	intermediate filament protein	0.0027	0.0909	0.0909
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0458	0.1619
Brugia malayi	nuclear receptor NHR-88	0.002	0.0458	0.1619
Onchocerca volvulus		0.0027	0.0909	0.1853
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0356	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0356	0.1521
Loa Loa (eye worm)	hypothetical protein	0.002	0.0458	0.1952
Schistosoma mansoni	ap endonuclease	0.0019	0.0356	0.0197
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0458	0.03
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0458	0.0458
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0458	0.1619
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0356	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0458	0.1619
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0458	0.1952
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0458	0.0458
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0356	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0458	0.1619
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0458	0.03
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0162	0.0692
Echinococcus multilocularis	lamin dm0	0.0027	0.0909	0.0909
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0356	0.5
Brugia malayi	intermediate filament protein	0.0027	0.0909	0.3623
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0356	0.0356
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0162	0.0307
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0458	0.03
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0356	0.5
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0162	0.0162
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0458	0.03
Onchocerca volvulus		0.0027	0.0909	0.1853
Brugia malayi	ecdysteroid receptor	0.002	0.0458	0.1619
Loa Loa (eye worm)	hypothetical protein	0.002	0.0458	0.1952
Loa Loa (eye worm)	hypothetical protein	0.002	0.0458	0.1952
Echinococcus multilocularis	geminin	0.017	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.2344	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0458	0.1952
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0458	0.1619
Onchocerca volvulus		0.0058	0.2892	1
Brugia malayi	nuclear hormone receptor	0.002	0.0458	0.1619
Echinococcus granulosus	GPCR family 2	0.0016	0.0162	0.0162
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0162	0.0162
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0356	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1334	0.5692
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0909	0.0759
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0458	0.0458
Schistosoma mansoni	ap endonuclease	0.0019	0.0356	0.0197
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0356	0.5
Schistosoma mansoni	lamin	0.0027	0.0909	0.0759
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0458	0.1952
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0458	0.0458
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.2344	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0458	0.03
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0458	0.0458
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0458	0.03
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0458	0.0458
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0458	0.1619
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0356	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0458	0.03
Loa Loa (eye worm)	hypothetical protein	0.002	0.0458	0.1952
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0458	0.03
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0458	0.1952
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0458	0.0458
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0458	0.03
Echinococcus multilocularis	lamin	0.0027	0.0909	0.0909
Schistosoma mansoni	hypothetical protein	0.017	1	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0356	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0458	0.0458
Brugia malayi	steroid hormone receptor	0.002	0.0458	0.1619
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0909	0.3877
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0458	0.1619
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0458	0.03
Loa Loa (eye worm)	hypothetical protein	0.002	0.0458	0.1952
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0458	0.1619
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0458	0.0458
Schistosoma mansoni	hypothetical protein	0.0034	0.1334	0.1191
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0909	0.3877
Echinococcus granulosus	lamin dm0	0.0027	0.0909	0.0909
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0458	0.1619
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0356	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0458	0.0458
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0356	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0876	0.374
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0458	0.0458
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.2344	1
Echinococcus granulosus	lamin	0.0027	0.0909	0.0909
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0356	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0458	0.1619
Loa Loa (eye worm)	hypothetical protein	0.002	0.0458	0.1952
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0458	0.03
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0458	0.0458
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0356	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0458	0.0458
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0162	0.0307
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0458	0.1952
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0458	0.1619
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0162	0.0162

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 813852