TDR Targets

Basic information

Technical information

TDR Targets ID: 1171207
Name: Ethyl 3-[(4-methoxyphenyl)sulfonylamino]benzo ate
MW: 335.375 | Formula: C16H17NO5S
H donors: 1 H acceptors: 3 LogP: 2.64 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cccc(c1)NS(=O)(=O)c1ccc(cc1)OC
InChi: 1S/C16H17NO5S/c1-3-22-16(18)12-5-4-6-13(11-12)17-23(19,20)15-9-7-14(21-2)8-10-15/h4-11,17H,3H2,1-2H3
InChiKey: VCXFBPYXDSUCQY-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

3-[(4-methoxyphenyl)sulfonylamino]benzoic acid ethyl ester
nchembio852-compR16
STK045926
AN-652/42062799
ZINC00363763

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
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0034	0.0559	0.197
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0216	0.6716	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0034	0.0559	0.0794
Schistosoma mansoni	hypothetical protein	0.0033	0.0528	0.0528
Mycobacterium tuberculosis	Probable dehydrogenase	0.0224	0.6971	0.8917
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0027	0.0041
Entamoeba histolytica	hypothetical protein	0.0035	0.0591	0.0843
Loa Loa (eye worm)	hypothetical protein	0.0174	0.5294	0.656
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1191	0.1774
Schistosoma mansoni	hypothetical protein	0.0035	0.0591	0.0591
Mycobacterium tuberculosis	Probable reductase	0.0224	0.6971	0.8917
Schistosoma mansoni	serine/threonine protein kinase	0.0216	0.6716	0.6716
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0216	0.6716	1
Loa Loa (eye worm)	glutathione reductase	0.0098	0.2724	0.3376
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0034	0.0559	1
Plasmodium falciparum	glutathione reductase	0.0098	0.2724	1
Plasmodium vivax	thioredoxin reductase, putative	0.0098	0.2724	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1046	0.1296
Schistosoma mansoni	ap endonuclease	0.0018	0.0027	0.0027
Trichomonas vaginalis	CAMK family protein kinase	0.0216	0.6716	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0034	0.0559	1
Trichomonas vaginalis	CAMK family protein kinase	0.0216	0.6716	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0559	0.0794
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0034	0.0559	0.0794
Leishmania major	trypanothione reductase	0.0098	0.2724	0.4032
Trichomonas vaginalis	CAMK family protein kinase	0.0216	0.6716	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0249	0.7814	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0257	0.807	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1191	0.1191
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0034	0.0559	0.0794
Brugia malayi	glutathione reductase	0.0098	0.2724	0.3376
Entamoeba histolytica	hypothetical protein	0.0035	0.0591	0.0843
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0237	0.0779
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3027	0.4484
Schistosoma mansoni	hypothetical protein	0.0195	0.6009	0.6009
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0034	0.0559	0.0794
Trichomonas vaginalis	mercuric reductase, putative	0.0034	0.0559	0.0794
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0034	0.0559	0.0794
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1191	0.1191
Trypanosoma brucei	trypanothione reductase	0.0098	0.2724	0.4032
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0559	0.0794
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0237	0.0779
Brugia malayi	hypothetical protein	0.0035	0.0591	0.0732
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0034	0.0559	0.0794
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0027	0.0041
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0034	0.0559	0.0794
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0034	0.0559	0.0794
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1191	0.1191
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0237	0.0779
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0216	0.6716	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0034	0.0559	0.197
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0224	0.6971	0.8917
Plasmodium vivax	glutathione reductase, putative	0.0098	0.2724	1
Plasmodium falciparum	thioredoxin reductase	0.0098	0.2724	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1046	0.1296
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0034	0.0559	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0591	0.0591
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0034	0.0559	0.5
Echinococcus granulosus	thioredoxin glutathione reductase	0.0099	0.2744	0.4086
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.1191	0.1476
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0034	0.0559	0.0832
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0034	0.0559	0.0682
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0224	0.6971	0.8917
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0249	0.7814	1
Brugia malayi	Thioredoxin reductase	0.0098	0.2724	0.3376
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3027	0.4484
Trichomonas vaginalis	CAMK family protein kinase	0.0216	0.6716	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0034	0.0559	0.0794
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0559	0.0794
Loa Loa (eye worm)	thioredoxin reductase	0.0098	0.2724	0.3376
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1046	0.1296
Brugia malayi	MH2 domain containing protein	0.0257	0.807	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0237	0.0294
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1046	0.1296
Treponema pallidum	NADH oxidase	0.0034	0.0559	1
Trichomonas vaginalis	CAMK family protein kinase	0.0216	0.6716	1
Echinococcus multilocularis	geminin	0.0195	0.6009	0.8947
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0249	0.7814	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0099	0.2744	0.4086
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0237	0.0314
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0224	0.6971	0.8917
Echinococcus granulosus	geminin	0.0195	0.6009	0.8947
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0559	0.0794
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1191	0.1774
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0559	0.0794
Trypanosoma cruzi	trypanothione reductase, putative	0.0034	0.0559	0.0794
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.1191	0.1476
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0237	0.0314
Leishmania major	hypothetical protein, conserved	0.0025	0.0237	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0528	0.0655
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0237	0.0314
Trypanosoma brucei	polo-like protein kinase	0.0216	0.6716	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0034	0.0559	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0034	0.0559	0.0692
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0034	0.0559	0.0794
Trypanosoma cruzi	polo-like protein kinase, putative	0.0216	0.6716	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0216	0.6716	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0216	0.6716	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0216	0.6716	0.8322
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0224	0.6971	0.8917
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0034	0.0559	0.0559
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0591	0.088
Trichomonas vaginalis	CAMK family protein kinase	0.0216	0.6716	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0098	0.2724	0.3464
Trypanosoma cruzi	trypanothione reductase, putative	0.0098	0.2724	0.4032
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0559	0.0794
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0249	0.7814	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0591	0.0843
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0025	0.0254	0.0314
Trichomonas vaginalis	glutathione reductase, putative	0.0034	0.0559	0.0794
Toxoplasma gondii	thioredoxin reductase	0.0098	0.2724	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0034	0.0559	0.197
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0034	0.0559	1
Schistosoma mansoni	ap endonuclease	0.0018	0.0027	0.0027
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0237	0.0779
Loa Loa (eye worm)	transcription factor SMAD2	0.0257	0.807	1
Plasmodium falciparum	thioredoxin reductase	0.0034	0.0559	0.197
Brugia malayi	hypothetical protein	0.0174	0.5294	0.656
Trichomonas vaginalis	CAMK family protein kinase	0.0216	0.6716	1
Brugia malayi	hypothetical protein	0.0025	0.0237	0.0294
Giardia lamblia	Kinase, PLK	0.0216	0.6716	1
Schistosoma mansoni	kinase	0.011	0.3123	0.3123
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0528	0.0655
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0034	0.0559	0.0832
Trypanosoma cruzi	polo-like protein kinase, putative	0.0216	0.6716	1
Toxoplasma gondii	NADPH-glutathione reductase	0.0034	0.0559	0.197
Plasmodium falciparum	glutathione reductase	0.0034	0.0559	0.197
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0027	0.0034
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0027	0.0034
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0025	0.0254	0.0314
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1191	0.1774
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0591	0.088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1191	0.1774
Entamoeba histolytica	hypothetical protein	0.0035	0.0591	0.0843
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0034	0.0559	0.197
Brugia malayi	serine/threonine-protein kinase plk-2	0.0216	0.6716	0.8322
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0034	0.0559	0.0794
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0034	0.0559	0.197
Schistosoma mansoni	hypothetical protein	0.0195	0.6009	0.6009

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: CHEMBL1221556

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 1171207