TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 396.427 | Formula: C19H19F3N2O2S
H donors: 0 H acceptors: 2 LogP: 3.34 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CCN(CCN1Cc1ccccc1C(F)(F)F)C(=O)c1sccc1C
InChi: 1S/C19H19F3N2O2S/c1-13-7-11-27-17(13)18(26)23-8-6-16(25)24(10-9-23)12-14-4-2-3-5-15(14)19(20,21)22/h2-5,7,11H,6,8-10,12H2,1H3
InChiKey: XCCOZKSUAITBOV-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
Giardia lamblia	Kinase, AGC PKA	0.0027	0.0027	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0097	0.5
Toxoplasma gondii	AGC kinase	0.0038	0.0086	0.5
Brugia malayi	Hemopexin family protein	0.0277	0.1328	0.1253
Trypanosoma cruzi	Protein kinase B	0.0029	0.0039	1
Entamoeba histolytica	protein kinase, putative	0.0041	0.0097	1
Brugia malayi	Matrixin family protein	0.0195	0.0903	0.0824
Mycobacterium leprae	PROBABLE HYDROLASE	0.0238	0.1125	0.5
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0238	0.1125	0.1048
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.1941	1	1
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0041	0.0097	0.5
Brugia malayi	Matrixin family protein	0.0472	0.2346	0.228
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0097	0.5
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0195	0.0903	0.0868
Brugia malayi	Matrixin family protein	0.0195	0.0903	0.0824
Onchocerca volvulus		0.0277	0.1328	0.3431
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0097	0.5
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0027	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1125	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0195	0.0903	0.0824
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0029	0.0039	0.164
Brugia malayi	Matrixin family protein	0.0195	0.0903	0.0824
Echinococcus granulosus	serine/threonine protein kinase	0.0029	0.0039	0.0039
Loa Loa (eye worm)	matrixin family protein	0.0433	0.2142	0.2075
Mycobacterium ulcerans	hydrolase	0.0238	0.1125	0.5
Loa Loa (eye worm)	matrix metalloproteinase	0.0195	0.0903	0.0824
Loa Loa (eye worm)	matrixin family protein	0.0472	0.2346	0.228
Onchocerca volvulus	Matrilysin homolog	0.0433	0.2142	1
Echinococcus granulosus	serine threonine protein kinase nrc	0.0027	0.0027	0.0027
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0027	0.0027	0.0027
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0029	0.0039	1
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0027	0.0027	0.5
Entamoeba histolytica	protein kinase, putative	0.0041	0.0097	1
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.071	0.3585	0.3585
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0097	0.5
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0238	0.1125	0.5
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.071	0.3585	0.3585
Entamoeba histolytica	protein kinase, putative	0.0038	0.0086	0.836
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0029	0.0039	0.164
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0097	0.5
Loa Loa (eye worm)	hypothetical protein	0.0195	0.0903	0.0824
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.1941	1	1
Loa Loa (eye worm)	hypothetical protein	0.0195	0.0903	0.0824
Schistosoma mansoni	hypothetical protein	0.0277	0.1328	0.1295
Brugia malayi	Protein kinase domain containing protein	0.0041	0.0097	0.0012
Schistosoma mansoni	serine/threonine protein kinase	0.1941	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0097	0.5
Brugia malayi	Matrixin family protein	0.0195	0.0903	0.0824
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0097	0.5
Echinococcus multilocularis	rac serine:threonine kinase	0.0029	0.0039	0.0039
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0041	0.0097	0.0012
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.1941	1	1
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0027	0.0027	0.5
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0433	0.2142	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 808321