TDR Targets

Basic information

Technical information

TDR Targets ID: 712066
Name: 1-(4-methoxy-3-nitrophenyl)-2-(4-methylphenyl )sulfonylethanone
MW: 349.358 | Formula: C16H15NO6S
H donors: 0 H acceptors: 5 LogP: 2.74 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1[N+](=O)[O-])C(=O)CS(=O)(=O)c1ccc(cc1)C
InChi: 1S/C16H15NO6S/c1-11-3-6-13(7-4-11)24(21,22)10-15(18)12-5-8-16(23-2)14(9-12)17(19)20/h3-9H,10H2,1-2H3
InChiKey: HHENWXDOPOYXHS-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

1-(4-methoxy-3-nitro-phenyl)-2-(4-methylphenyl)sulfonyl-ethanone
ZINC00614873

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	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.0371	0.0371
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0106	0.0371	0.0371
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0106	0.0371	0.0371
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0549	0.3159	0.3159
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1636	1	1
Loa Loa (eye worm)	hypothetical protein	0.0204	0.099	0.099
Leishmania major	phosphatidylinositol kinase, putative	0.0106	0.0371	0.0371
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1636	1	1
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0106	0.0371	0.0371
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0106	0.0371	0.0371
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0549	0.3159	0.3159
Trichomonas vaginalis	PIKK family atypical protein kinase	0.031	0.1654	0.1332
Schistosoma mansoni	hypothetical protein	0.0239	0.1212	0.0873
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0106	0.0371	0.0371
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0371	0.0371
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.0371	0.0371
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.068	0.3982	0.3982
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1302	0.7894	0.7813
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0884	0.5265	0.5082
Mycobacterium tuberculosis	Probable oxidoreductase	0.0118	0.045	1
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0106	0.0371	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.1636	1	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0106	0.0371	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0882	0.5256	0.5074
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.031	0.1654	0.1654
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0549	0.3159	0.3159
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.031	0.1654	0.1654
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.3159	0.2895
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0106	0.0371	0.0371
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0106	0.0371	0.0371
Toxoplasma gondii	FATC domain-containing protein	0.031	0.1654	0.2246
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1217	0.7362	0.7261
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0106	0.0371	0.0371
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0106	0.0371	0.0371
Loa Loa (eye worm)	phosphatidylinositol 3	0.0106	0.0371	0.0371
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.031	0.1654	0.1332
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.031	0.1654	0.1654
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1217	0.7362	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1098	0.6611	0.6481
Trypanosoma cruzi	target of rapamycin kinase 3	0.1303	0.7902	0.7902
Trichomonas vaginalis	conserved hypothetical protein	0.0239	0.1212	0.0873
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1217	0.7362	0.7261
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1636	1	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1636	1	1
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0106	0.0371	1
Onchocerca volvulus		0.0106	0.0371	0.5
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0106	0.0371	0.0371
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0106	0.0375	0.0503
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.031	0.1654	0.1332
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.0371	0.0371
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0106	0.0371	0.8255
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0239	0.1212	0.1212
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0345	0.1876	0.2548
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1636	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0345	0.1876	0.1563
Giardia lamblia	GTOR	0.1636	1	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1303	0.7902	0.7902
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0106	0.0371	0.0371
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0106	0.0371	0.0504
Trichomonas vaginalis	conserved hypothetical protein	0.0204	0.099	0.0642
Echinococcus multilocularis	Zinc finger, PHD finger	0.0106	0.0371	0.0371
Echinococcus granulosus	serine protein kinase ATM	0.031	0.1654	0.1654
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1217	0.7362	0.7261
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.031	0.1654	0.1654
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0106	0.0371	0.0371
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.3159	0.2895
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0106	0.0371	0.0371
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0106	0.0371	0.0371
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1636	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0106	0.0371	0.0371
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.0375	0.8342
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1217	0.7362	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0882	0.5256	0.5074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0978	0.5857	0.5698
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1217	0.7362	0.7261
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0549	0.3159	0.3159
Brugia malayi	FAT domain containing protein	0.0239	0.1212	0.1212
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.0375	0.8342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.3159	0.2895
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0371	0.0371
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0106	0.0371	0.0504
Loa Loa (eye worm)	hypothetical protein	0.031	0.1654	0.1654
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0549	0.3159	0.3159
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0106	0.0371	0.0371
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.031	0.1654	0.1654
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1302	0.7894	0.7813
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1636	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.3159	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1636	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0106	0.0371	0.0371
Leishmania major	hypothetical protein, conserved	0.0106	0.0371	0.0371
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.031	0.1654	0.1654
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0978	0.5857	0.5698
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0549	0.3159	0.3159
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.3159	0.2895
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0549	0.3159	0.3159
Loa Loa (eye worm)	hypothetical protein	0.0345	0.1876	0.1876
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1636	1	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0106	0.0371	0.0371
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0106	0.0371	0.0371
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0106	0.0371	0.0371
Onchocerca volvulus		0.0106	0.0371	0.5
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1303	0.7902	0.7902
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0204	0.099	0.099
Plasmodium vivax	hypothetical protein	0.0106	0.0371	1
Mycobacterium tuberculosis	Probable reductase	0.0106	0.0375	0.8342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0978	0.5857	0.5698
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0239	0.1212	0.1212
Loa Loa (eye worm)	phosphatidylinositol 3	0.0106	0.0371	0.0371
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0118	0.045	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0882	0.5256	0.5074
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0968	0.5796	0.5634
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1217	0.7362	0.7261
Loa Loa (eye worm)	phosphatidylinositol 3	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1636	1	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.0375	0.8342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0884	0.5265	0.5082
Echinococcus multilocularis		0.0106	0.0371	0.0371
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.031	0.1654	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1302	0.7894	0.7813
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0106	0.0371	0.0371
Schistosoma mansoni	fkbp-rapamycin associated protein	0.031	0.1654	0.1332
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.0375	0.8342
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0106	0.0371	0.0504
Echinococcus multilocularis	serine protein kinase ATM	0.031	0.1654	0.1654
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0106	0.0371	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1302	0.7894	0.7813
Loa Loa (eye worm)	hypothetical protein	0.0239	0.1212	0.1212
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0884	0.5265	0.5082
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0106	0.0371	0.0371
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.031	0.1654	0.1654
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0549	0.3159	0.2895
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0106	0.0371	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0106	0.0371	0.0371
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0106	0.0371	0.0371
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1636	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0884	0.5265	0.5082
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0118	0.045	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1217	0.7362	0.7261
Entamoeba histolytica	protein kinase rad3, putative	0.031	0.1654	0.1332
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.031	0.1654	0.1332
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.0371	0.0371
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.0371	0.0371
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0106	0.0371	0.0371
Loa Loa (eye worm)	phosphatidylinositol 3	0.0106	0.0371	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1302	0.7894	0.7813
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0106	0.0371	0.0504
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0774	0.4575	0.4575
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.0375	0.8342
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0106	0.0371	0.0371
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0106	0.0371	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1397	0.8495	0.8437
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0549	0.3159	0.3159
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0106	0.0371	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1636	1	1
Leishmania major	hypothetical protein, unknown function	0.0106	0.0371	0.0371
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0106	0.0371	0.0371
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1636	1	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1636	1	1
Entamoeba histolytica	hypothetical protein	0.031	0.1654	0.1332
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0106	0.0371	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0549	0.3159	0.3159
Loa Loa (eye worm)	phosphatidylinositol 3	0.0106	0.0371	0.0371
Loa Loa (eye worm)	phosphatidylinositol 3	0.0549	0.3159	0.3159
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0204	0.099	0.0642
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0106	0.0371	0.0371
Plasmodium vivax	hypothetical protein, conserved	0.0106	0.0371	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0118	0.045	1
Loa Loa (eye worm)	hypothetical protein	0.0333	0.1805	0.1805
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1062	0.6389	0.625
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0968	0.5796	0.5634
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0439	0.2469	0.2178
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0106	0.0371	0.0371

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 712066