TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 423.409 | Formula: C19H16F3N3O3S
H donors: 1 H acceptors: 2 LogP: 4.61 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: S=C1NC2c3cc(ccc3OC(N1c1ccccc1C(F)(F)F)(C2C)C)[N+](=O)[O-]
InChi: 1S/C19H16F3N3O3S/c1-10-16-12-9-11(25(26)27)7-8-15(12)28-18(10,2)24(17(29)23-16)14-6-4-3-5-13(14)19(20,21)22/h3-10,16H,1-2H3,(H,23,29)
InChiKey: INWAIRBJADEMBM-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	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0021	0.056	0.056
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0029	0.0947	0.0947
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0029	0.0947	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0021	0.056	0.056
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0029	0.0947	0.0947
Toxoplasma gondii	hypothetical protein	0.0029	0.0947	0.5
Onchocerca volvulus		0.0029	0.0947	0.1195
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0029	0.0947	0.0947
Treponema pallidum	sodium- and chloride- dependent transporter	0.0171	0.7926	0.5
Echinococcus granulosus	synaptic vesicular amine transporter	0.0213	1	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0029	0.0947	0.0947
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0021	0.056	0.056
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0011	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	hypothetical protein	0.0173	0.8052	0.8052
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0021	0.056	0.056
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0021	0.056	0.056
Echinococcus multilocularis	glycine receptor subunit beta	0.0021	0.056	0.056
Brugia malayi	TAR-binding protein	0.0129	0.586	0.586
Schistosoma mansoni	nAChR subunit	0.0021	0.056	0.056
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0011	0.0081	0.0081
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0011	0.0081	0.0081
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0021	0.056	0.056
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0021	0.056	0.056
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0029	0.0947	0.5
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0021	0.056	0.056
Loa Loa (eye worm)	ACC-1 protein	0.0021	0.056	0.056
Brugia malayi	excitatory GABA receptor EXP-1A	0.0021	0.056	0.056
Brugia malayi	Cation transporter family protein	0.0021	0.056	0.056
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0021	0.056	0.056
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0021	0.056	0.056
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0021	0.056	0.056
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.5457	0.5457
Echinococcus granulosus	sodium and chloride dependent glycine	0.0029	0.0947	0.0947
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0021	0.056	0.056
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0021	0.056	0.056
Schistosoma mansoni	sodium/chloride dependent transporter	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0029	0.0947	0.0947
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	nAChR subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0029	0.0947	0.0947
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0171	0.7926	0.7926
Schistosoma mansoni	hypothetical protein	0.0173	0.8052	0.8052
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Echinococcus granulosus	glycine receptor subunit beta	0.0021	0.056	0.056
Schistosoma mansoni	nAChR subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0947	0.0947
Echinococcus multilocularis	synaptic vesicular amine transporter	0.0213	1	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.7926	0.7926
Brugia malayi	Cation transporter family protein	0.0021	0.056	0.056
Loa Loa (eye worm)	ACC-1 protein	0.0021	0.056	0.056
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0021	0.056	0.056
Schistosoma mansoni	sodium/chloride dependent transporter	0.0029	0.0947	0.0947
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0029	0.0947	0.0947
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0029	0.0947	0.0947
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0171	0.7926	0.7926
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.586	0.586
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.586	0.586
Loa Loa (eye worm)	LGC-31 protein	0.0021	0.056	0.056
Onchocerca volvulus		0.0021	0.056	0.0707
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0029	0.0947	0.0947
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0947	0.0947
Loa Loa (eye worm)	norepinephrine transporter	0.0171	0.7926	0.7926
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0021	0.056	0.056
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0021	0.056	0.056
Brugia malayi	RNA binding protein	0.0129	0.586	0.586
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0029	0.0947	0.0947
Onchocerca volvulus		0.0021	0.056	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Onchocerca volvulus		0.0011	0.0081	0.0102
Plasmodium vivax	amine transporter, putative	0.0029	0.0947	0.5
Loa Loa (eye worm)	serotonin transporter b	0.0171	0.7926	0.7926
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0029	0.0947	0.0947
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0029	0.0947	0.0947
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0947	0.5
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0021	0.056	0.056
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0021	0.056	0.056
Onchocerca volvulus		0.0011	0.0081	0.0102
Loa Loa (eye worm)	TAR-binding protein	0.0129	0.586	0.586
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0029	0.0947	0.0947
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0021	0.056	0.056
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.586	0.586
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0021	0.056	0.056
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0021	0.056	0.056
Echinococcus granulosus	nAChR subunit	0.0011	0.0081	0.0081
Onchocerca volvulus		0.0021	0.056	0.0707
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0021	0.056	0.056
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0021	0.056	0.056
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0021	0.056	0.056
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0029	0.0947	0.0947
Onchocerca volvulus		0.0029	0.0947	0.1195
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0029	0.0947	0.0947
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0021	0.056	0.056
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0021	0.056	0.056
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0021	0.056	0.056
Echinococcus granulosus	serotonin transporter	0.0171	0.7926	0.7926
Entamoeba histolytica	hypothetical protein	0.0011	0.0081	0.5
Onchocerca volvulus		0.0021	0.056	0.0707
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0021	0.056	0.056
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0021	0.056	0.056
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0129	0.586	0.586
Schistosoma mansoni	nAChR subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0029	0.0947	0.0947
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0021	0.056	0.056
Echinococcus multilocularis	glycine receptor subunit beta	0.0021	0.056	0.056
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0011	0.0081	0.0081
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0021	0.056	0.056
Onchocerca volvulus		0.0021	0.056	0.0707
Onchocerca volvulus		0.0171	0.7926	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.5457	0.5457
Onchocerca volvulus	Putative nachr subunit	0.0021	0.056	0.0707
Echinococcus multilocularis	nAChR subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	abnormal catecholamine distribution protein 1	0.0213	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0011	0.0081	0.0081
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0029	0.0947	0.5
Echinococcus granulosus	tar DNA binding protein	0.0129	0.586	0.586
Loa Loa (eye worm)	hypothetical protein	0.0171	0.7926	0.7926
Brugia malayi	RNA recognition motif domain containing protein	0.0129	0.586	0.586
Schistosoma mansoni	nAChR subunit	0.0021	0.056	0.056
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0011	0.0081	0.0081
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.586	0.586
Echinococcus granulosus	geminin	0.0173	0.8052	0.8052
Toxoplasma gondii	hypothetical protein	0.0029	0.0947	0.5
Brugia malayi	hypothetical protein	0.0029	0.0947	0.0947
Echinococcus granulosus	glycine receptor subunit beta	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0171	0.7926	0.7926
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0021	0.056	0.056
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	RNA binding protein	0.0129	0.586	0.586
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0021	0.056	0.056
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0081	0.0081
Loa Loa (eye worm)	GABA receptor subunit	0.0011	0.0081	0.0081
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0029	0.0947	0.0947
Brugia malayi	MH2 domain containing protein	0.012	0.5457	0.5457
Echinococcus multilocularis	serotonin transporter	0.0171	0.7926	0.7926
Echinococcus multilocularis	geminin	0.0173	0.8052	0.8052
Schistosoma mansoni	nAChR subunit	0.0021	0.056	0.056
Onchocerca volvulus		0.0029	0.0947	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0171	0.7926	0.7926
Echinococcus multilocularis	tar DNA binding protein	0.0129	0.586	0.586
Brugia malayi	Cation transporter family protein	0.0021	0.056	0.056
Echinococcus multilocularis	nAChR subunit	0.0011	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.586	0.586
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0021	0.056	0.056
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0021	0.056	0.056
Onchocerca volvulus		0.0021	0.056	0.0707
Echinococcus granulosus	nAChR subunit	0.0021	0.056	0.056
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0021	0.056	0.056
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0029	0.0947	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0029	0.0947	0.0947
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0029	0.0947	0.0947
Plasmodium falciparum	transporter, putative	0.0029	0.0947	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	sodium/chloride dependent transporter	0.0171	0.7926	0.7926
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	neurotransmitter gated ion channel	0.0011	0.0081	0.0081
Echinococcus granulosus	sodium and chloride dependent glycine	0.0029	0.0947	0.0947
Schistosoma mansoni	nAChR subunit	0.0021	0.056	0.056
Plasmodium falciparum	amino acid transporter, putative	0.0029	0.0947	0.5
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0029	0.0947	0.0947
Schistosoma mansoni	vesicular amine transporter	0.0213	1	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0021	0.056	0.056
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0021	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0021	0.056	0.056
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0021	0.056	0.056
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0029	0.0947	0.0947

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 803380