TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 283.312 | Formula: C15H18F3N2+
H donors: 0 H acceptors: 0 LogP: 3.27 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1ccc(cc1)C[N+]1=CN2C(C1)CCCC2)(F)F
InChi: 1S/C15H18F3N2/c16-15(17,18)13-6-4-12(5-7-13)9-19-10-14-3-1-2-8-20(14)11-19/h4-7,11,14H,1-3,8-10H2/q+1
InChiKey: JMTFAARUCUSVSU-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
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0037	0.1185	0.378
Schistosoma mansoni	hypothetical protein	0.0037	0.1185	0.1158
Schistosoma mansoni	hypothetical protein	0.0037	0.1185	0.1158
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.2078	1
Schistosoma mansoni	polyomavirus enhancer activator 3 pea3	0.0012	0.018	0.0151
Echinococcus multilocularis	GA binding protein alpha chain	0.0084	0.3084	1
Loa Loa (eye worm)	ets-domain-containing protein	0.0012	0.018	0.0067
Echinococcus multilocularis	ETS transcription factor Elf 2	0.0012	0.018	0.0492
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.2603	0.5
Loa Loa (eye worm)	hypothetical protein	0.0117	0.4419	0.4355
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0059	0.2078	0.1986
Echinococcus granulosus	GA binding protein alpha chain	0.0084	0.3084	1
Schistosoma mansoni	hypothetical protein	0.0013	0.0218	0.0188
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0072	0.2603	0.8423
Schistosoma mansoni	hypothetical protein	0.0012	0.018	0.0151
Brugia malayi	transcription factor E74 isoform	0.0012	0.018	0.0072
Echinococcus multilocularis	ets variant gene 4	0.0012	0.018	0.0492
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0037	0.1185	0.1088
Toxoplasma gondii	aldehyde dehydrogenase	0.0072	0.2603	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0059	0.2078	0.6078
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.087	0.5
Schistosoma mansoni	cpg binding protein	0.0036	0.1145	0.1118
Schistosoma mansoni	hypothetical protein	0.0012	0.018	0.0151
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0013	0.0218	0.0615
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0037	0.1185	0.378
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0059	0.2078	0.6078
Schistosoma mansoni	hypothetical protein	0.0037	0.1185	0.1158
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0078	0.2857	0.2774
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0059	0.2078	0.697
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.2078	0.2054
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0059	0.2078	0.6078
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0117	0.4419	0.4355
Schistosoma mansoni	ets	0.0012	0.018	0.0151
Echinococcus multilocularis	ETS transcription factor Elf 2	0.0012	0.018	0.0492
Brugia malayi	hypothetical protein	0.0029	0.087	0.077
Echinococcus multilocularis	ETS transcription factor Elf 5	0.0012	0.018	0.0492
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0072	0.2603	0.8721
Echinococcus granulosus	ETS transcription factor Elf 2	0.0012	0.018	0.0492
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0059	0.2078	0.6078
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.2078	1
Echinococcus granulosus	ETS transcription factor Elf 2	0.0012	0.018	0.0492
Echinococcus granulosus	ETS transcription factor Elf 5	0.0012	0.018	0.0492
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.1066	0.0963
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0037	0.1185	0.378
Brugia malayi	hypothetical protein	0.0019	0.0451	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0012	0.018	0.0067
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0078	0.2857	1
Echinococcus multilocularis	ETS transcription factor Elf 1	0.0012	0.018	0.0492
Schistosoma mansoni	cpg binding protein	0.0036	0.1145	0.1118
Loa Loa (eye worm)	DNA-binding protein D-ETS-3	0.0012	0.018	0.0067
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0114	0.0275
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0012	0.018	0.0067
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0059	0.2078	0.6078
Schistosoma mansoni	elf1	0.0012	0.018	0.0151
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0072	0.2612	0.259
Brugia malayi	DNA-binding protein D-ETS-3	0.0012	0.018	0.0072
Brugia malayi	CXXC zinc finger family protein	0.0034	0.1066	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2592	0.2506
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0078	0.2857	0.2778
Brugia malayi	Ets-domain containing protein	0.0012	0.018	0.0072
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0078	0.2857	1
Echinococcus multilocularis	GPCR, family 2	0.0037	0.1185	0.378
Echinococcus multilocularis	ETS domain containing protein Elk 1	0.0012	0.018	0.0492
Echinococcus granulosus	ETS transcription factor Elf 1	0.0012	0.018	0.0492
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0059	0.2078	0.6078
Echinococcus multilocularis	protein C ets 2	0.0012	0.018	0.0492
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0037	0.1185	0.1083
Brugia malayi	Ets-domain containing protein	0.0084	0.3084	0.3008
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.2078	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.087	0.5
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0013	0.0218	0.0615
Echinococcus granulosus	mitogen activated protein kinase 3	0.0059	0.2078	0.6704
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.2078	1
Echinococcus multilocularis	transcription factor Dp 1	0.0045	0.1522	0.4885
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0117	0.4419	0.4358
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0078	0.2857	1
Echinococcus granulosus	cpg binding protein	0.0036	0.1145	0.365
Brugia malayi	Ets-domain containing protein	0.0084	0.3084	0.3008
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0078	0.2857	1
Echinococcus granulosus	ETS domain containing protein Elk 1	0.0012	0.018	0.0492
Loa Loa (eye worm)	hypothetical protein	0.008	0.2922	0.284
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.2603	0.5
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0078	0.2857	0.9255
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.2603	0.258
Echinococcus multilocularis	mitogen activated protein kinase	0.0059	0.2078	0.6704
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0037	0.1185	0.378
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0117	0.4419	0.4358
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0084	0.3084	0.3004
Schistosoma mansoni	hypothetical protein	0.0037	0.1185	0.1158
Echinococcus multilocularis	cpg binding protein	0.0036	0.1145	0.365
Brugia malayi	Latrophilin receptor protein 2	0.0037	0.1185	0.1088
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0059	0.2078	0.6078
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0059	0.2078	0.6704
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1185	0.1083
Schistosoma mansoni	ets-related	0.0012	0.018	0.0151
Echinococcus multilocularis	ewsr:fli fusion protein type	0.0012	0.018	0.0492
Brugia malayi	latrophilin 2 splice variant baaae	0.008	0.2922	0.2844
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0078	0.2857	0.5
Echinococcus granulosus	ewsr:fli fusion protein type	0.0012	0.018	0.0492
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.087	0.5
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0078	0.2857	0.9255
Loa Loa (eye worm)	hypothetical protein	0.0012	0.018	0.0067
Giardia lamblia	Kinase, CMGC MAPK	0.0059	0.2078	0.5
Trypanosoma brucei	protein kinase, putative	0.0059	0.2078	0.6078
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.2603	0.5
Echinococcus granulosus	protein C ets 2	0.0012	0.018	0.0492
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0114	0.0275
Echinococcus granulosus	transcription factor Dp 1	0.0045	0.1522	0.4885
Brugia malayi	MAP kinase sur-1	0.0059	0.2078	0.1991
Loa Loa (eye worm)	hypothetical protein	0.0029	0.087	0.0764
Schistosoma mansoni	cpg binding protein	0.0034	0.1066	0.1039
Echinococcus granulosus	GPCR family 2	0.0037	0.1185	0.378
Onchocerca volvulus		0.0034	0.1066	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.2603	0.258
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0072	0.2603	0.8423
Schistosoma mansoni	hypothetical protein	0.008	0.2922	0.2901
Echinococcus granulosus	mitogen activated protein kinase	0.0059	0.2078	0.6704
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0072	0.2603	0.5
Schistosoma mansoni	gabp alpha	0.0084	0.3084	0.3063
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0078	0.2857	0.2835
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0065	0.23	0.8252
Loa Loa (eye worm)	D-ets-2 protein	0.0012	0.018	0.0067

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: CHEMBL1852829

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 1074679