TDR Targets

Basic information

Technical information

TDR Targets ID: 754280
Name: 3-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
MW: 337.348 | Formula: C15H15NO6S
H donors: 2 H acceptors: 4 LogP: 1.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)S(=O)(=O)Nc1cccc(c1)C(=O)O)OC
InChi: 1S/C15H15NO6S/c1-21-12-6-7-13(22-2)14(9-12)23(19,20)16-11-5-3-4-10(8-11)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChiKey: BUYAUOLVAJPIKP-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-{[(2,5-dimethoxyphenyl)sulfonyl]amino}benzoic acid
AP-263/41417998

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
Loa Loa (eye worm)	PHD-finger family protein	0.0042	0.0352	0.0417
Loa Loa (eye worm)	glutaminase 2	0.0266	0.7591	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0326	0.0674
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3504	0.4616
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.014	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2903	0.3793
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0116	0.0153
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.014	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0326	0.025
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.014	0.5
Onchocerca volvulus	Huntingtin homolog	0.0121	0.2903	0.6688
Loa Loa (eye worm)	hypothetical protein	0.0036	0.014	0.0136
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0231	0.6473	0.8519
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3504	0.4616
Echinococcus granulosus	fetal alzheimer antigen falz	0.0046	0.0478	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1523	0.1967
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0601	0.0792
Trichomonas vaginalis	glucosylceramidase, putative	0.0174	0.4609	0.5997
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.014	1
Schistosoma mansoni	chromobox protein	0.0074	0.1374	0.181
Leishmania major	hypothetical protein, conserved	0.0036	0.014	0.1516
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.4322	0.5612
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1806	0.2341
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0035	0.0116	0.0153
Schistosoma mansoni	bromodomain containing protein	0.0129	0.3168	0.4173
Schistosoma mansoni	glutaminase	0.0266	0.7591	1
Brugia malayi	chromobox protein homolog 3	0.0041	0.0326	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0144	0.3659	0.4795
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.014	0.0136
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0922	0.1263
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.4322	0.5612
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0922	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.3504	0.3428
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.4322	0.5612
Entamoeba histolytica	hypothetical protein	0.0035	0.0122	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.3504	0.4589
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0922	0.1215
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0251	0.7116	0.9371
Mycobacterium ulcerans	glutaminase	0.0266	0.7591	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0922	0.0816
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0922	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0922	0.105
Brugia malayi	hypothetical protein	0.0121	0.2903	0.3723
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.2803	0.3661
Echinococcus multilocularis	chromobox protein 1	0.0074	0.1374	0.1273
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0073	0.1362	0.1261
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0122	0.0006
Brugia malayi	beta-lactamase family protein	0.0036	0.014	0.0024
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.3504	0.3428
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.7116	0.9362
Brugia malayi	Bromodomain containing protein	0.0078	0.1519	0.187
Mycobacterium leprae	Probable lipase LipE	0.0036	0.014	0.5
Echinococcus granulosus	chromobox protein 1	0.0074	0.1374	0.1273
Brugia malayi	beta-lactamase	0.0036	0.014	0.0024
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.4322	0.5612
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0326	0.0382
Onchocerca volvulus	Glucosylceramidase homolog	0.0165	0.4322	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0035	0.0116	0.0153
Onchocerca volvulus		0.0036	0.014	0.0239
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0046	0.0478	0.0367
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0073	0.1362	0.1261
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0046	0.0478	0.063
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.014	0.0024
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0122	0.2932	0.2849
Brugia malayi	MH2 domain containing protein	0.0118	0.2803	0.3589
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0122	0.0161
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.7116	0.9362
Loa Loa (eye worm)	hypothetical protein	0.0036	0.014	0.0136
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.2803	0.3661
Schistosoma mansoni	zinc finger protein	0.004	0.0282	0.0372
Trichomonas vaginalis	glutaminase, putative	0.0266	0.7591	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.014	0.0136
Echinococcus multilocularis	chromobox protein 1	0.0074	0.1374	0.1273
Entamoeba histolytica	hypothetical protein	0.0035	0.0122	0.5
Echinococcus multilocularis	tumor protein p63	0.034	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.014	0.0184
Brugia malayi	beta-lactamase family protein	0.0036	0.014	0.0024
Trichomonas vaginalis	glucosylceramidase, putative	0.0174	0.4609	0.5997
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.014	1
Trichomonas vaginalis	chromobox protein, putative	0.0074	0.1374	0.1656
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0116	0.0153
Echinococcus granulosus	chromobox protein 1	0.0074	0.1374	0.1273
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0428	0.0386
Schistosoma mansoni	hypothetical protein	0.0035	0.0122	0.0161
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.7116	0.9362
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.7116	0.9362
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.3504	0.3428
Schistosoma mansoni	hypothetical protein	0.0042	0.0352	0.0464
Brugia malayi	Bromodomain containing protein	0.0153	0.3942	0.5114
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.4322	0.5612
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.7116	0.9362
Loa Loa (eye worm)	hypothetical protein	0.0036	0.014	0.0136
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0122	0.2932	0.2849
Schistosoma mansoni	chromobox protein	0.0074	0.1374	0.181
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.014	0.5
Onchocerca volvulus		0.0036	0.014	0.0239
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.4322	0.5612
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0116	0.0104
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.4322	0.5612
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0428	0.0911
Brugia malayi	glutaminase DH11.1	0.0266	0.7591	1
Brugia malayi	Heterochromatin protein 1	0.0074	0.1374	0.1676
Onchocerca volvulus		0.0036	0.014	0.0239
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0326	0.025
Onchocerca volvulus		0.005	0.0601	0.1317
Loa Loa (eye worm)	hypothetical protein	0.0036	0.014	0.0136
Brugia malayi	PHD-finger family protein	0.0051	0.0635	0.0686
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.014	0.0024
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0922	0.1215
Loa Loa (eye worm)	heterochromatin protein 1	0.0074	0.1374	0.1769
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.6336	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0122	0.0006
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0922	0.105
Brugia malayi	follicle stimulating hormone receptor	0.0231	0.6473	0.8502
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.7116	0.9362
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0922	0.105
Onchocerca volvulus	Huntingtin homolog	0.0121	0.2903	0.6688
Entamoeba histolytica	hypothetical protein	0.0035	0.0122	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.3504	0.3428
Echinococcus granulosus	zinc finger protein	0.004	0.0282	0.0169
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.014	0.0024
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0922	0.0816
Loa Loa (eye worm)	beta-lactamase	0.0036	0.014	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2903	0.3793
Loa Loa (eye worm)	bromodomain containing protein	0.0036	0.0156	0.0157
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0251	0.7116	0.9364
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0428	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0083	0.168	0.2174
Loa Loa (eye worm)	hypothetical protein	0.0036	0.014	0.0136
Loa Loa (eye worm)	glutaminase	0.0266	0.7591	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3504	0.4616
Echinococcus multilocularis	zinc finger protein	0.004	0.0282	0.0169
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.3504	0.4528
Trichomonas vaginalis	chromobox protein, putative	0.0074	0.1374	0.1656
Entamoeba histolytica	hypothetical protein	0.0035	0.0122	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.0601	0.0747

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 754280