TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.333 | Formula: C16H20F6N2O
H donors: 1 H acceptors: 0 LogP: 3.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: FC(OCCN(C1CCNCC1)Cc1ccccc1C(F)(F)F)(F)F
InChi: 1S/C16H20F6N2O/c17-15(18,19)14-4-2-1-3-12(14)11-24(9-10-25-16(20,21)22)13-5-7-23-8-6-13/h1-4,13,23H,5-11H2
InChiKey: JYDUTNYIMCRLJX-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
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0811	0.3015
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0811	0.0728
Leishmania major	hypothetical protein, conserved	0.0037	0.0811	0.3015
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0818	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.3436	0.4778
Brugia malayi	DNA topoisomerase III beta-1	0.006	0.1905	0.2416
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0811	0.0728
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.3436	0.448
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.3436	0.4778
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0811	0.3015
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0811	0.0199
Entamoeba histolytica	DNA topoisomerase III, putative	0.006	0.1905	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0166	0.6822	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0166	0.6822	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3436	0.5431
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0811	0.9914
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0811	0.0199
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0034	0.0689	0.8421
Trypanosoma brucei	DNA topoisomerase III, putative	0.0034	0.0689	0.2235
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0818	1
Mycobacterium tuberculosis	Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase)	0.021	0.8876	0.8777
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0818	0.0739
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.1662	0.204
Leishmania major	DNA topoisomerase 1A	0.0034	0.0689	0.2235
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0811	0.0728
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0034	0.0689	0.2235
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0818	1
Trypanosoma brucei	DNA topoisomerase III, putative	0.006	0.1905	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0811	0.0728
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0811	0.015
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0811	0.015
Mycobacterium tuberculosis	Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase)	0.021	0.8876	0.8777
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.006	0.1905	0.1983
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0034	0.0689	0.7304
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0818	1
Trypanosoma cruzi	DNA topoisomerase III, putative	0.006	0.1905	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0166	0.6822	1
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0818	0.306
Chlamydia trachomatis	DNA polymerase III subunit alpha	0.0209	0.8827	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.3436	0.448
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0811	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0811	0.0728
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0034	0.0689	0.2235
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.1662	0.204
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.006	0.1905	0.1983
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0166	0.6822	1
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0811	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0811	0.0728
Brugia malayi	DNA topoisomerase III	0.0034	0.0689	0.054
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0811	0.9914
Trichomonas vaginalis	esterase, putative	0.0037	0.0811	0.9914
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0811	0.0728
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0811	0.0149
Schistosoma mansoni	alpha glucosidase	0.0037	0.0818	0.0255
Schistosoma mansoni	alpha-glucosidase	0.0143	0.5748	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0811	0.015
Plasmodium vivax	DNA topoisomerase 3, putative	0.0034	0.0689	0.7412
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0818	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0811	0.0728
Brugia malayi	beta-lactamase family protein	0.0037	0.0811	0.0728
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0818	0.1063
Giardia lamblia	DNA topoisomerase III	0.006	0.1905	1
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.006	0.1905	0.2405
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1662	0.204
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0818	0.306
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.1662	0.204
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0818	1
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0811	0.015
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0818	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0166	0.6822	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0818	0.306
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3436	0.5431
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0811	0.3015
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0818	0.0211
Brugia malayi	beta-lactamase	0.0037	0.0811	0.0728
Treponema pallidum	DNA polymerase III subunit alpha	0.0209	0.8827	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0818	1
Onchocerca volvulus		0.0096	0.3569	1
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.006	0.1905	0.2416
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.3436	0.448
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0945	0.0314
Mycobacterium ulcerans	lipase LipD	0.0037	0.0811	0.015
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0034	0.0689	0.2235
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0034	0.0689	0.2235
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0818	0.0739
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0034	0.0689	0.2235
Mycobacterium leprae	PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE)	0.021	0.8876	1
Mycobacterium ulcerans	error-prone DNA polymerase	0.0209	0.8827	1
Leishmania major	DNA topoisomerase III, putative	0.006	0.1905	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0811	0.9914
Schistosoma mansoni	hypothetical protein	0.0037	0.0853	0.0324
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.3436	0.448
Toxoplasma gondii	DNA topoisomerase family protein	0.0034	0.0689	0.7304
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0811	0.0149
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0818	0.1063
Onchocerca volvulus		0.006	0.1905	0.3968
Loa Loa (eye worm)	DNA topoisomerase III	0.0034	0.0689	0.054
Wolbachia endosymbiont of Brugia malayi	DNA polymerase III alpha subunit	0.0209	0.8827	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0811	0.9914
Brugia malayi	beta-lactamase family protein	0.0037	0.0811	0.0728
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0818	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.0811	0.9853
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0811	0.0242
Mycobacterium ulcerans	DNA polymerase III subunit alpha	0.0209	0.8827	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0853	0.0793
Trypanosoma brucei	glucosidase, putative	0.0037	0.0818	0.306
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3436	0.5431
Leishmania major	DNA topoisomerase III, putative	0.0034	0.0689	0.2235
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0818	0.0211
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0818	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0811	0.0728
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0034	0.0689	1
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0034	0.0689	0.8421
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0853	0.0793
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0811	0.9914
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.0945	0.0145
Schistosoma mansoni	alpha-glucosidase	0.0143	0.5748	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

ChEMBL: CHEMBL1182041

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1151291