TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 345.277 | Formula: C13H14F3N5O3
H donors: 2 H acceptors: 4 LogP: 0.67 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(F)(F)F)NCCCCNc1n[n+]([O-])c2c([n+]1[O-])cccc2
InChi: 1S/C13H14F3N5O3/c14-13(15,16)11(22)17-7-3-4-8-18-12-19-21(24)10-6-2-1-5-9(10)20(12)23/h1-2,5-6H,3-4,7-8H2,(H,17,22)(H,18,19)
InChiKey: CTTCGOXUCQJLRF-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
Brugia malayi	Protein kinase domain containing protein	0.0203	0.0883	0.3015
Brugia malayi	RhoGAP domain containing protein	0.0144	0.0604	0.2061
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0203	0.0883	0.2999
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0148	0.0624	0.2131
Schistosoma mansoni	serine/threonine protein kinase	0.0639	0.2929	1
Entamoeba histolytica	protein kinase, putative	0.0203	0.0883	0.4105
Echinococcus granulosus	myotubularin protein 13	0.0144	0.0604	0.2043
Echinococcus granulosus	N chimaerin	0.0151	0.0638	0.216
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Echinococcus multilocularis	protein kinase c iota type	0.0347	0.1558	0.5307
Schistosoma mansoni	diacylglycerol kinase theta	0.0144	0.0604	0.2043
Echinococcus granulosus	NDR protein kinase	0.0203	0.0883	0.2999
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0311	0.0311
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0151	0.0638	0.216
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0203	0.0883	0.2999
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0151	0.0638	0.216
Echinococcus granulosus	protein kinase C gamma type	0.0292	0.1301	0.4429
Brugia malayi	Ras association domain family 1 isoform A	0.0144	0.0604	0.2061
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0148	0.0624	0.0624
Echinococcus granulosus	Diacylglycerol kinase theta	0.0144	0.0604	0.2043
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0203	0.0883	0.2999
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0203	0.0883	0.0883
Brugia malayi	Pleckstrin Homology Domain	0.0144	0.0604	0.2061
Echinococcus multilocularis	myotubularin protein 13	0.0144	0.0604	0.2043
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0148	0.0624	0.2113
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0021	0.0027	0.007
Brugia malayi	diacylglycerol kinase	0.0144	0.0604	0.2061
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0203	0.0883	0.0883
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0151	0.064	0.2167
Brugia malayi	Tyrosine-protein kinase abl-1	0.0017	0.0007	0.0023
Brugia malayi	protein kinase C II.	0.0639	0.2929	1
Schistosoma mansoni	serine/threonine protein kinase	0.0436	0.1975	0.6737
Loa Loa (eye worm)	SRC-1	0.0017	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Echinococcus granulosus	raf serine:threonine protein kinase	0.0146	0.0613	0.2076
Brugia malayi	p70 ribosomal S6 kinase beta	0.0203	0.0883	0.3015
Schistosoma mansoni	serine/threonine protein kinase	0.0146	0.0613	0.2076
Loa Loa (eye worm)	hypothetical protein	0.0225	0.0985	0.0985
Brugia malayi	protein kinase C3,putative	0.0148	0.0624	0.2131
Schistosoma mansoni	hypothetical protein	0.0144	0.0604	0.2043
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Brugia malayi	Hr1 repeat family protein	0.0203	0.0883	0.3015
Echinococcus multilocularis	N chimaerin	0.0151	0.0638	0.216
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0203	0.0883	0.0883
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0151	0.0638	0.216
Echinococcus granulosus	Rac GTPase activating protein 1	0.0144	0.0604	0.2043
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0203	0.0883	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Brugia malayi	Protein kinase domain containing protein	0.0203	0.0883	0.3015
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0203	0.0883	0.0883
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0203	0.0883	0.2999
Schistosoma mansoni	serine/threonine protein kinase	0.0203	0.0883	0.2999
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0146	0.0613	0.2076
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0144	0.0604	0.0604
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0488	0.2218	0.7567
Brugia malayi	RhoGAP domain containing protein	0.0151	0.0638	0.2179
Entamoeba histolytica	protein kinase, putative	0.0203	0.0883	0.4105
Brugia malayi	Protein kinase c protein 2	0.0237	0.1042	0.3558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0203	0.0883	0.2999
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0151	0.0638	0.0638
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0639	0.2929	0.2929
Loa Loa (eye worm)	hypothetical protein	0.1943	0.9046	0.9046
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0151	0.0638	0.216
Brugia malayi	Variant SH3 domain containing protein	0.0151	0.0638	0.2179
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0148	0.0624	0.0624
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0144	0.0604	0.2043
Brugia malayi	SRC-1	0.0017	0.0007	0.0023
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0289	0.1284	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0081	0.0311	0.104
Echinococcus granulosus	serine:threonine protein kinase N2	0.0289	0.1284	0.4373
Schistosoma mansoni	protein kinase C	0.0151	0.064	0.2167
Schistosoma mansoni	serine/threonine kinase	0.0203	0.0883	0.2999
Loa Loa (eye worm)	hypothetical protein	0.1943	0.9046	0.9046
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0144	0.0604	0.0604
Brugia malayi	Protein kinase domain containing protein	0.0148	0.0624	0.2131
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0203	0.0883	0.2999
Entamoeba histolytica	protein kinase, putative	0.0203	0.0883	0.4105
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0436	0.1975	0.6737
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0144	0.0604	0.2043
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0203	0.0883	0.0883
Schistosoma mansoni	serine/threonine protein kinase	0.0203	0.0883	0.2999
Echinococcus multilocularis	serine threonine protein kinase	0.0292	0.1301	0.4429
Loa Loa (eye worm)	raf kinase	0.0144	0.0604	0.0604
Toxoplasma gondii	AGC kinase	0.0203	0.0883	1
Brugia malayi	diacylglycerol kinase	0.0144	0.0604	0.2061
Schistosoma mansoni	serine/threonine protein kinase	0.0203	0.0883	0.2999
Echinococcus multilocularis	unc 13 (munc13)	0.0151	0.064	0.2167
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Echinococcus granulosus	protein kinase c epsilon type	0.0639	0.2929	1
Schistosoma mansoni	serine/threonine protein kinase	0.0436	0.1975	0.6737
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0148	0.0624	0.2113
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0203	0.0883	0.2999
Brugia malayi	C1-like domain containing protein	0.0148	0.0624	0.2131
Onchocerca volvulus		0.1943	0.9046	1
Schistosoma mansoni	diacylglycerol kinase theta	0.0144	0.0604	0.2043
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0203	0.0883	0.2999
Echinococcus granulosus	RNA directed DNA polymerase	0.0081	0.0311	0.104
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Loa Loa (eye worm)	hypothetical protein	0.2086	0.9721	0.9721
Schistosoma mansoni	protein kinase C mu	0.0144	0.0604	0.2043
Schistosoma mansoni	protein kinase C mu	0.0148	0.0624	0.2113
Schistosoma mansoni	serine/threonine protein kinase	0.0148	0.0624	0.2113
Echinococcus granulosus	serine:threonine protein kinase N2	0.0203	0.0883	0.2999
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Brugia malayi	Protein kinase domain containing protein	0.0203	0.0883	0.3015
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0081	0.0311	0.104
Onchocerca volvulus		0.0151	0.064	0.0043
Schistosoma mansoni	rac gtpase activating protein	0.0144	0.0604	0.2043
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0203	0.0883	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Echinococcus granulosus	Protein kinase C brain isozyme	0.0436	0.1975	0.6737
Schistosoma mansoni	vav2	0.0151	0.0638	0.216
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Echinococcus granulosus	protein kinase c eta type	0.0144	0.0604	0.2043
Loa Loa (eye worm)	hypothetical protein	0.1943	0.9046	0.9046
Schistosoma mansoni	unc-13 (munc13)	0.0151	0.064	0.2167
Echinococcus granulosus	protein kinase c iota type	0.0347	0.1558	0.5307
Echinococcus multilocularis	protein kinase c epsilon type	0.0639	0.2929	1
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0203	0.0883	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.0883	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0604	0.0604
Entamoeba histolytica	protein kinase, putative	0.0203	0.0883	0.4105
Schistosoma mansoni	serine/threonine protein kinase	0.0148	0.0624	0.2113
Schistosoma mansoni	unc-13 (munc13)	0.0151	0.064	0.2167
Echinococcus multilocularis	protein kinase c eta type	0.0144	0.0604	0.2043
Echinococcus granulosus	unc 13 munc13	0.0151	0.064	0.2167
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0144	0.0604	0.0604
Loa Loa (eye worm)	hypothetical protein	0.0151	0.064	0.064
Brugia malayi	RhoGEF domain containing protein	0.0144	0.0604	0.2061
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0151	0.064	0.2167
Schistosoma mansoni	serine/threonine protein kinase	0.0203	0.0883	0.2999
Schistosoma mansoni	atypical protein kinase C	0.0347	0.1558	0.5307
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0093	0.0368	0.0368

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: CHEMBL513451

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 1010277