TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 401.403 | Formula: C17H18F3N3O3S
H donors: 0 H acceptors: 4 LogP: 3.09 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nn(c(c1S(=O)(=O)N1CCCC1)C)C(=O)c1cccc(c1)C(F)(F)F
InChi: 1S/C17H18F3N3O3S/c1-11-15(27(25,26)22-8-3-4-9-22)12(2)23(21-11)16(24)13-6-5-7-14(10-13)17(18,19)20/h5-7,10H,3-4,8-9H2,1-2H3
InChiKey: KIPOKFBQJQLOKS-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	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Entamoeba histolytica	hypothetical protein	0.0144	0.6205	1
Schistosoma mansoni	aldo-keto reductase	0.013	0.5585	0.6479
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.196	0.2273
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Loa Loa (eye worm)	oxidoreductase	0.013	0.5585	0.5484
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.1155	0.0952
Echinococcus granulosus	peptidase Clp S14 family	0.0054	0.2219	0.245
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0083	0.3487	0.4045
Entamoeba histolytica	aldose reductase, putative	0.013	0.5585	0.8689
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0674	0.0628
Onchocerca volvulus		0.013	0.5585	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.013	0.5585	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.013	0.5585	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0028	0.1075	0.1423
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.196	0.2144
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.013	0.5585	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3487	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Echinococcus multilocularis	cpg binding protein	0.0032	0.1231	0.1285
Schistosoma mansoni	potassium channel beta	0.0038	0.1481	0.1717
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.236	0.285
Entamoeba histolytica	aldose reductase, putative	0.013	0.5585	0.8689
Brugia malayi	hypothetical protein	0.0019	0.0674	0.0466
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3487	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.196	0.2144
Loa Loa (eye worm)	hypothetical protein	0.0083	0.3487	0.3338
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0038	0.1481	0.1579
Schistosoma mansoni	aldo-keto reductase	0.013	0.5585	0.6479
Leishmania major	aldo-keto reductase-like protein	0.013	0.5585	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0547	0.0478
Trichomonas vaginalis	aldo/keto reductase, putative	0.013	0.5585	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0054	0.2219	0.18
Schistosoma mansoni	cpg binding protein	0.0032	0.1231	0.1428
Echinococcus multilocularis	aldo keto reductase	0.013	0.5585	0.642
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0674	0.0628
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0038	0.1481	0.129
Schistosoma mansoni	hypothetical protein	0.0144	0.6205	0.7198
Trypanosoma cruzi	aldo-keto reductase	0.013	0.5585	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0038	0.1481	0.09
Onchocerca volvulus		0.0038	0.1481	0.1641
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0547	0.0478
Trichomonas vaginalis	aldo-keto reductase, putative	0.0038	0.1481	0.25
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.3487	0.5349
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0144	0.6205	0.7151
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.3487	0.5349
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0054	0.2219	0.18
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0038	0.1481	0.2866
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.013	0.5585	1
Toxoplasma gondii	aldose reductase, putative	0.013	0.5585	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.196	0.2273
Trypanosoma brucei	aldo-keto reductase, putative	0.013	0.5585	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0054	0.2219	0.245
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Trichomonas vaginalis	aldo/keto reductase, putative	0.013	0.5585	1
Echinococcus multilocularis	RUN	0.0019	0.0674	0.0628
Mycobacterium tuberculosis	Probable oxidoreductase	0.013	0.5585	1
Mycobacterium leprae	Conserved hypothetical protein	0.0092	0.3912	0.6289
Brugia malayi	hypothetical protein	0.0019	0.0674	0.0466
Giardia lamblia	Aldose reductase	0.013	0.5585	0.5
Brugia malayi	Probable ClpP-like protease	0.0083	0.3487	0.3342
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.013	0.5585	1
Onchocerca volvulus		0.013	0.5585	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0038	0.1481	0.25
Echinococcus granulosus	aldo keto reductase	0.013	0.5585	0.642
Entamoeba histolytica	hypothetical protein	0.0144	0.6205	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0038	0.1481	0.09
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0547	0.0478
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.196	0.1776
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0083	0.3487	0.5349
Schistosoma mansoni	cpg binding protein	0.0032	0.1231	0.1428
Echinococcus multilocularis	aldo keto reductase	0.013	0.5585	0.642
Schistosoma mansoni	hypothetical protein	0.0017	0.0547	0.0634
Loa Loa (eye worm)	oxidoreductase	0.013	0.5585	0.5484
Echinococcus granulosus	cpg binding protein	0.0032	0.1231	0.1285
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Plasmodium vivax	aldehyde reductase, putative	0.0038	0.1481	0.2866
Toxoplasma gondii	aldo-keto reductase	0.0038	0.1481	0.09
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0674	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0674	0.0461
Schistosoma mansoni	lipoxygenase	0.0019	0.0674	0.0782
Entamoeba histolytica	hypothetical protein	0.0144	0.6205	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Echinococcus multilocularis	aldo keto reductase	0.013	0.5585	0.642
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0038	0.1481	0.1579
Schistosoma mansoni	hypothetical protein	0.0198	0.8621	1
Giardia lamblia	Aldose reductase	0.013	0.5585	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0054	0.2219	0.2537
Mycobacterium ulcerans	oxidoreductase	0.013	0.5585	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0028	0.1075	0.1423
Loa Loa (eye worm)	oxidoreductase	0.013	0.5585	0.5484
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0674	0.0628
Echinococcus granulosus	aldo keto reductase	0.013	0.5585	0.642
Mycobacterium leprae	Possible oxidoreductase	0.0038	0.1481	0.09
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.013	0.5585	0.5487
Trichomonas vaginalis	aldo/keto reductase, putative	0.013	0.5585	1
Schistosoma mansoni	polycystin 1-related	0.0019	0.0674	0.0782
Schistosoma mansoni	hypothetical protein	0.0198	0.8621	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3487	0.4889
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.013	0.5585	0.5487
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0547	0.0331
Echinococcus multilocularis	aldehyde reductase	0.0092	0.3912	0.4446
Schistosoma mansoni	rab6-interacting	0.0019	0.0674	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1406	0.1209
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0142	0.0164
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.196	0.2273
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0083	0.3487	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0038	0.1481	0.2866
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0547	0.0478
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0224	0.0097
Trichomonas vaginalis	aldo-keto reductase, putative	0.0038	0.1481	0.25
Brugia malayi	CXXC zinc finger family protein	0.003	0.1155	0.0957
Onchocerca volvulus		0.013	0.5585	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Echinococcus granulosus	voltage gated potassium channel subunit	0.0038	0.1481	0.1579
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Schistosoma mansoni	rab6-interacting	0.0019	0.0674	0.0782
Echinococcus granulosus	GPCR family 2	0.0017	0.0547	0.0478
Schistosoma mansoni	hypothetical protein	0.0017	0.0547	0.0634
Schistosoma mansoni	transcription factor LCR-F1	0.0144	0.6205	0.7198
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0083	0.3487	0.3946
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0674	0.0628
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.2146	0.1971
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.1406	0.1214
Schistosoma mansoni	pol-related	0.013	0.5585	0.6479
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.013	0.5585	0.5487
Entamoeba histolytica	aldose reductase, putative	0.013	0.5585	0.8689
Brugia malayi	hypothetical protein	0.0144	0.6205	0.612
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3487	0.5
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.013	0.5585	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2146	0.1967
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0547	0.0331
Schistosoma mansoni	hypothetical protein	0.0017	0.0547	0.0634
Onchocerca volvulus		0.013	0.5585	1
Brugia malayi	NADH-dependent xylose reductase	0.0038	0.1481	0.129
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0229	1	1
Echinococcus granulosus	RUN	0.0019	0.0674	0.0628
Echinococcus granulosus	aldehyde reductase	0.0092	0.3912	0.4446
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.2236	0.247
Echinococcus granulosus	geminin	0.0198	0.8621	1
Schistosoma mansoni	lipoxygenase	0.0055	0.2236	0.2594
Onchocerca volvulus		0.013	0.5585	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0547	0.0336
Trypanosoma brucei	prostaglandin f synthase	0.013	0.5585	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.2146	0.1967
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.196	0.2144
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.196	0.178
Echinococcus granulosus	hypothetical protein	0.013	0.5585	0.642
Schistosoma mansoni	cpg binding protein	0.003	0.1155	0.1339
Echinococcus granulosus	aldo keto reductase	0.013	0.5585	0.642
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Schistosoma mansoni	loxhd1	0.0019	0.0674	0.0782
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0038	0.1481	0.25
Schistosoma mansoni	hypothetical protein	0.0017	0.0547	0.0634
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0674	0.0628
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0038	0.1481	0.1286
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0547	0.0336
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3487	1
Onchocerca volvulus		0.003	0.1155	0.0978
Echinococcus multilocularis	geminin	0.0198	0.8621	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0674	0.0628
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.2236	0.247
Echinococcus multilocularis	aldo keto reductase	0.013	0.5585	0.642
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.2666	0.3092
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0144	0.6205	0.7151
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.013	0.5585	0.5487
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.2146	0.1971
Brugia malayi	Doublecortin family protein	0.0019	0.0674	0.0466
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1481	0.25
Loa Loa (eye worm)	oxidoreductase	0.013	0.5585	0.5484
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.013	0.5585	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0083	0.3487	0.3946
Loa Loa (eye worm)	oxidoreductase	0.013	0.5585	0.5484
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.013	0.5585	0.642
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.5585	0.5484
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0224	0.0097
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0674	0.0461
Entamoeba histolytica	hypothetical protein	0.0144	0.6205	1
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0547	0.0478
Plasmodium falciparum	aldehyde reductase, putative	0.0038	0.1481	0.2866
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.196	0.2144
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.013	0.5585	0.642
Trichomonas vaginalis	aldo-keto reductase, putative	0.013	0.5585	1
Schistosoma mansoni	hypothetical protein	0.0036	0.1406	0.1631
Schistosoma mansoni	hypothetical protein	0.0019	0.0674	0.0782
Leishmania major	prostaglandin f synthase, putative	0.013	0.5585	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3487	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3487	0.4889
Onchocerca volvulus		0.013	0.5585	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 685836