TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 312.305 | Formula: C16H16F4N2
H donors: 2 H acceptors: 0 LogP: 2.22 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NCc1ccccc1C(C(c1ccccc1CN)(F)F)(F)F
InChi: 1S/C16H16F4N2/c17-15(18,13-7-3-1-5-11(13)9-21)16(19,20)14-8-4-2-6-12(14)10-22/h1-8H,9-10,21-22H2
InChiKey: YNPLHQCGPPRENU-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
Schistosoma mansoni	glucose transport protein	0.0123	0.3236	0.3198
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0038	0	0.5
Onchocerca volvulus		0.0105	0.2531	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.3482	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0123	0.3236	0.3198
Schistosoma mansoni	hypothetical protein	0.0301	1	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0123	0.3236	0.3198
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0123	0.3236	0.3198
Schistosoma mansoni	hypothetical protein	0.0301	1	1
Echinococcus granulosus	jun protein	0.0133	0.3621	0.3585
Plasmodium vivax	hexose transporter	0.0123	0.3236	0.5
Schistosoma mansoni	hypothetical protein	0.0123	0.3236	0.3198
Schistosoma mansoni	jun-related protein	0.0108	0.267	0.2629
Trypanosoma brucei	glucose transporter, putative	0.0038	0	0.5
Toxoplasma gondii	facilitative glucose transporter GT1	0.0123	0.3236	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0123	0.3236	0.3198
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0123	0.3236	0.3198
Trypanosoma brucei	glucose transporter, putative	0.0038	0	0.5
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0038	0	0.5
Leishmania major	glucose transporter, lmgt3	0.0038	0	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0038	0	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0123	0.3236	0.3198
Echinococcus multilocularis	geminin	0.0301	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0133	0.3621	0.3585
Trypanosoma brucei	glucose transporter, putative	0.0038	0	0.5
Schistosoma mansoni	glucose transport protein	0.0123	0.3236	0.3198
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0123	0.3236	0.3198
Leishmania major	glucose transporter, lmgt1	0.0038	0	0.5
Schistosoma mansoni	hypothetical protein	0.0108	0.267	0.2629
Trichomonas vaginalis	conserved hypothetical protein	0.0123	0.3236	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0133	0.3621	0.3585
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0123	0.3236	0.3198
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0038	0	0.5
Trypanosoma brucei	glucose transporter 1E	0.0038	0	0.5
Trypanosoma brucei	glucose transporter 2A	0.0038	0	0.5
Trypanosoma brucei	glucose transporter, putative	0.0038	0	0.5
Echinococcus multilocularis	General substrate transporter	0.0106	0.2577	0.2535
Brugia malayi	bZIP transcription factor family protein	0.0133	0.3621	1
Trypanosoma brucei	glucose transporter, putative	0.0038	0	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0038	0	0.5
Leishmania major	glucose transporter, lmgt2	0.0038	0	0.5
Echinococcus multilocularis	jun protein	0.0133	0.3621	0.3585
Brugia malayi	hypothetical protein	0.0105	0.2531	0.6943
Trypanosoma brucei	glucose transporter, putative	0.0038	0	0.5
Trypanosoma brucei	glucose transporter, putative	0.0038	0	0.5
Trypanosoma cruzi	hexose transporter	0.0038	0	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0038	0	0.5
Brugia malayi	Sugar transporter family protein	0.0123	0.3236	0.8922
Schistosoma mansoni	glucose transport protein	0.0123	0.3236	0.3198
Echinococcus granulosus	General substrate transporter	0.0106	0.2577	0.2535
Trypanosoma brucei	glucose transporter, putative	0.0038	0	0.5
Loa Loa (eye worm)	sugar transporter	0.0123	0.3236	0.9284
Plasmodium falciparum	hexose transporter	0.0123	0.3236	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0038	0	0.5

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: CHEMBL3303962

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 1901029