TDR Targets

Basic information

Technical information

TDR Targets ID: 831874
Name: 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-f luorophenyl)acetamide
MW: 356.414 | Formula: C19H17FN2O2S
H donors: 1 H acceptors: 2 LogP: 3.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c(=O)cc(c2c1cccc2)SCC(=O)Nc1ccccc1F
InChi: 1S/C19H17FN2O2S/c1-2-22-16-10-6-3-7-13(16)17(11-19(22)24)25-12-18(23)21-15-9-5-4-8-14(15)20/h3-11H,2,12H2,1H3,(H,21,23)
InChiKey: RDPYMURSFMTJGG-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

2-[(1-ethyl-2-oxo-4-quinolyl)sulfanyl]-N-(2-fluorophenyl)acetamide
2-[(1-ethyl-2-oxo-4-quinolyl)thio]-N-(2-fluorophenyl)acetamide
2-[(1-ethyl-2-keto-4-quinolyl)thio]-N-(2-fluorophenyl)acetamide
2-(1-ethyl-2-oxo-quinolin-4-yl)sulfanyl-N-(2-fluorophenyl)ethanamide

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
Toxoplasma gondii	fructose-bisphospatase II	0.0536	1	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0069	0.1029	0.1003
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0087	0.0058
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.043	1
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0536	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.025	0.025
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0536	1	1
Brugia malayi	intermediate filament protein	0.0028	0.025	0.025
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.043	0.3647
Toxoplasma gondii	exonuclease III APE	0.002	0.0087	0.0058
Toxoplasma gondii	fructose-bisphospatase I	0.0199	0.3538	0.3519
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0602	0.0575
Echinococcus multilocularis	lamin	0.0028	0.025	0.0222
Echinococcus multilocularis	geminin	0.0176	0.3093	0.3073
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0069	0.1029	0.1029
Schistosoma mansoni	inositol monophosphatase	0.0037	0.043	0.0403
Echinococcus granulosus	lamin dm0	0.0028	0.025	0.0222
Echinococcus granulosus	intermediate filament protein	0.0028	0.025	0.0222
Echinococcus granulosus	transcription factor Dp 1	0.004	0.0474	0.0447
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0355	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0602	0.0602
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0536	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.025	0.025
Echinococcus multilocularis	musashi	0.0028	0.025	0.0222
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0087	0.0087
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.043	0.0403
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0087	0.5
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0199	0.3538	0.3519
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0087	0.0058
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0069	0.1029	0.1003
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.043	0.0403
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0069	0.1029	0.1029
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.0199	0.3538	0.3519
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.025	0.025
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0087	0.0058
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0087	0.5
Leishmania major		0.0536	1	1
Schistosoma mansoni	hypothetical protein	0.0176	0.3093	0.3073
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.043	0.0403
Schistosoma mansoni	hypothetical protein	0.0054	0.075	0.0723
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0536	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0602	0.0575
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0602	0.0602
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.043	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.025	0.025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0602	0.0575
Schistosoma mansoni	lamin	0.0028	0.025	0.0222
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0602	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0158	0.2744	0.2744
Brugia malayi	Inositol-1	0.0037	0.043	0.043
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0029	0.0029
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0602	0.0575
Brugia malayi	hypothetical protein	0.0158	0.2744	0.2744
Schistosoma mansoni	ap endonuclease	0.002	0.0087	0.0058
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0536	1	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.1029	0.1003
Loa Loa (eye worm)	inositol-1	0.0037	0.043	0.043
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0087	0.0087
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0069	0.1029	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0087	0.0058
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.0199	0.3538	0.3519
Schistosoma mansoni	inositol monophosphatase	0.0037	0.043	0.0403
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0029	0.0029
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0199	0.3538	0.3519
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.043	0.0403
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.1029	0.1003
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0029	0.0029
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0087	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.025	0.0222
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0069	0.1029	0.1003
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0087	0.0058
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0069	0.1029	0.1003
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0087	1
Schistosoma mansoni	hypothetical protein	0.0176	0.3093	0.3073
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.043	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.1029	0.1003
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0087	0.1782
Schistosoma mansoni	ap endonuclease	0.002	0.0087	0.0058
Echinococcus granulosus	geminin	0.0176	0.3093	0.3073
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0602	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0028	0.024	0.024
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.043	0.0403
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0536	1	1
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.0474	0.0447
Schistosoma mansoni	lamin	0.0028	0.025	0.0222
Onchocerca volvulus		0.0158	0.2744	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0602	0.0575
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.043	0.0403
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0034	0.0355	0.5
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.043	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.043	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.043	0.0403
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0087	0.0058
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0536	1	1
Echinococcus granulosus	lamin	0.0028	0.025	0.0222
Echinococcus multilocularis	lamin dm0	0.0028	0.025	0.0222

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.

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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 831874