TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.287 | Formula: C15H14F3N3
H donors: 1 H acceptors: 2 LogP: 2.26 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1ccc(cc1)c1cnc(cn1)C1CCCN1)(F)F
InChi: 1S/C15H14F3N3/c16-15(17,18)11-5-3-10(4-6-11)13-8-21-14(9-20-13)12-2-1-7-19-12/h3-6,8-9,12,19H,1-2,7H2
InChiKey: GVRTYUCUVNBLJP-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
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Trypanosoma cruzi	cysteine peptidase, putative	0.0635	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0635	1	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0791	0.1971
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0093	0.0459	0.1281
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.0791	0.083
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846
Schistosoma mansoni	hypothetical protein	0.0153	0.1526	0.4258
Schistosoma mansoni	alpha-glucosidase	0.0254	0.3294	0.919
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0167	0.1761	0.1846
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0295	0.4016	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Echinococcus multilocularis	cathepsin L	0.0086	0.0339	0.0844
Onchocerca volvulus	Cathepsin L homolog	0.0167	0.1761	0.9343
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0167	0.1761	0.4384
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846
Onchocerca volvulus		0.0167	0.1761	0.9343
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Echinococcus multilocularis	cysteine protease	0.0167	0.1761	0.4384
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.0339	0.0356
Mycobacterium ulcerans	glycogen branching protein	0.027	0.3584	1
Echinococcus granulosus	cathepsin l1	0.0167	0.1761	0.4384
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0208	0.2491	0.6949
Schistosoma mansoni	starch branching enzyme II	0.027	0.3584	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0295	0.4016	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0167	0.1761	0.1846
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0086	0.0339	0.0946
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Onchocerca volvulus		0.0167	0.1761	0.9343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.0791	0.083
Onchocerca volvulus		0.0167	0.1761	0.9343
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.058	0.9031	0.8997
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1761	0.4384
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.0339	0.0356
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0167	0.1761	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0295	0.4016	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0167	0.1761	0.4384
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.027	0.3584	0.3758
Echinococcus multilocularis	cysteine protease	0.0167	0.1761	0.4384
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0167	0.1761	0.4384
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1761	0.4384
Entamoeba histolytica	cysteine proteinase 1, putative	0.0086	0.0339	0.0356
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0093	0.0459	0.1144
Entamoeba histolytica	cysteine proteinase 2	0.0086	0.0339	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0086	0.0339	0.0356
Brugia malayi	1,4-alpha-glucan branching enzyme	0.027	0.3584	0.8924
Mycobacterium leprae	Putative uncharacterized protein ML2045	0.0067	0	0.5
Trichomonas vaginalis	alpha-amylase, putative	0.0608	0.9537	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0167	0.1761	1
Toxoplasma gondii	glycosyltransferase	0.027	0.3584	1
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Onchocerca volvulus		0.0167	0.1761	0.9343
Loa Loa (eye worm)	ctsf protein	0.0167	0.1761	0.4384
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0295	0.4016	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0093	0.0459	0.1144
Toxoplasma gondii	alpha amylase, catalytic domain-containing protein	0.027	0.3584	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1761	0.4384
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Entamoeba histolytica	alpha-amylase family protein	0.0608	0.9537	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0167	0.1761	0.4913
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1761	0.4384
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Entamoeba histolytica	cysteine proteinase, putative	0.0086	0.0339	0.0356
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0295	0.4016	1
Entamoeba histolytica	cysteine proteinase, putative	0.0086	0.0339	0.0356
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Loa Loa (eye worm)	hypothetical protein	0.027	0.3584	0.8924
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0086	0.0339	0.0946
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1761	0.4384
Schistosoma mansoni	cathepsin F (C01 family)	0.0167	0.1761	0.4913
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.027	0.3584	0.3758
Trichomonas vaginalis	amylase, putative	0.0608	0.9537	1
Echinococcus granulosus	geminin	0.0153	0.1526	0.38
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Trichomonas vaginalis	starch branching enzyme II, putative	0.027	0.3584	0.3758
Trichomonas vaginalis	amylase, putative	0.027	0.3584	0.3758
Plasmodium vivax	vivapain-2	0.0167	0.1761	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0093	0.0459	0.1281
Trypanosoma cruzi	cysteine peptidase, putative	0.0167	0.1761	0.1472
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0791	0.1971
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0167	0.1761	0.4384
Echinococcus granulosus	cathepsin L	0.0086	0.0339	0.0844
Trichomonas vaginalis	alpha-amylase, putative	0.0542	0.8366	0.8772
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Onchocerca volvulus		0.0167	0.1761	0.9343
Trichomonas vaginalis	alpha-amylase, putative	0.0608	0.9537	1
Brugia malayi	Cathepsin L-like precursor	0.0111	0.0791	0.1971
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0167	0.1761	0.4384
Echinococcus granulosus	cathepsin L cysteine protease	0.0086	0.0339	0.0844
Onchocerca volvulus		0.0167	0.1761	0.9343
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Entamoeba histolytica	cysteine proteinase, putative	0.0086	0.0339	0.0356
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Brugia malayi	cathepsin L-like precursor	0.0111	0.0791	0.1971
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Giardia lamblia	1,4-alpha-glucan branching enzyme	0.027	0.3584	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Brugia malayi	Cathepsin L-like precursor	0.0111	0.0791	0.1971
Echinococcus multilocularis	glucan (1,4 alpha), branching enzyme 1	0.027	0.3584	0.8924
Trichomonas vaginalis	alpha-amylase, putative	0.0608	0.9537	1
Entamoeba histolytica	cysteine proteinase, putative	0.0167	0.1761	0.1846
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0093	0.0459	0.1281
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0111	0.0791	0.1971
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846
Plasmodium vivax	vivapain-2	0.0167	0.1761	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0167	0.1761	0.4384
Toxoplasma gondii	melibiase subfamily protein	0.0093	0.0459	0.1281
Entamoeba histolytica	cysteine proteinase, putative	0.0111	0.0791	0.083
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Loa Loa (eye worm)	fibroinase	0.0167	0.1761	0.4384
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0167	0.1761	0.4384
Onchocerca volvulus		0.017	0.1829	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0093	0.0459	0.1281
Brugia malayi	Papain family cysteine protease containing protein	0.0086	0.0339	0.0844
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1761	0.4384
Echinococcus multilocularis	geminin	0.0153	0.1526	0.38
Onchocerca volvulus	Cathepsin L homolog	0.0167	0.1761	0.9343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Echinococcus granulosus	glucan 14 alpha branching enzyme 1	0.027	0.3584	0.8924
Echinococcus granulosus	cathepsin l1	0.0111	0.0791	0.1971
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0167	0.1761	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0635	1	1
Onchocerca volvulus		0.0167	0.1761	0.9343
Onchocerca volvulus	Cathepsin F homolog	0.0167	0.1761	0.9343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Echinococcus multilocularis	cathepsin L cysteine protease	0.0167	0.1761	0.4384
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0791	0.1971
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Entamoeba histolytica	cysteine protease, putative	0.0167	0.1761	0.1846
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1761	0.4384
Schistosoma mansoni	hypothetical protein	0.0153	0.1526	0.4258
Trypanosoma cruzi	major cysteine proteinase, putative	0.0499	0.7609	0.7525
Brugia malayi	Papain family cysteine protease containing protein	0.0086	0.0339	0.0844
Trichomonas vaginalis	amylase, putative	0.0608	0.9537	1
Leishmania major	cathepsin L-like protease	0.0635	1	1
Echinococcus granulosus	cysteine protease	0.0086	0.0339	0.0844
Mycobacterium tuberculosis	1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme)	0.027	0.3584	1
Schistosoma mansoni	alpha-glucosidase	0.0254	0.3294	0.919
Echinococcus multilocularis	cathepsin L cysteine protease	0.0167	0.1761	0.4384
Schistosoma mansoni	cathepsin F (C01 family)	0.0111	0.0791	0.2208
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.027	0.3584	1
Toxoplasma gondii	cathepsin CPL	0.0167	0.1761	0.4913
Toxoplasma gondii	1,4-alpha-glucan-branching enzyme	0.027	0.3584	1
Entamoeba histolytica	cysteine protease, putative	0.0086	0.0339	0.0356
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Trypanosoma cruzi	cruzipain precursor, putative	0.0635	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0086	0.0339	0.0946
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0167	0.1761	0.1846
Trichomonas vaginalis	alpha-amylase, putative	0.0608	0.9537	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0093	0.0459	0.1144
Leishmania major	cathepsin L-like protease	0.0635	1	1
Loa Loa (eye worm)	cysteine protease	0.0167	0.1761	0.4384
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1761	0.1846
Entamoeba histolytica	alpha-amylase family protein	0.0608	0.9537	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1761	0.1846

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: CHEMBL3547874

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 2075312