TDR Targets

Basic information

Technical information

TDR Targets ID: 1412772
Name: N-(phenylmethyl)-2,1,3-benzothiadiazole-7-sul fonamide
MW: 305.375 | Formula: C13H11N3O2S2
H donors: 1 H acceptors: 4 LogP: 2.25 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=S(=O)(c1cccc2c1nsn2)NCc1ccccc1
InChi: 1S/C13H11N3O2S2/c17-20(18,14-9-10-5-2-1-3-6-10)12-8-4-7-11-13(12)16-19-15-11/h1-8,14H,9H2
InChiKey: HCHFGTNGNXOFAA-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

N-(benzyl)piazthiole-4-sulfonamide
MLS000807044
SMR000414858
A1550/0067467
ZINC04423581
ZINC00183262
STOCK3S-37783
Benzo[1,2,5]thiadiazole-4-sulfonic acid benzylamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352

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
Schistosoma mansoni	phosphatidylserine receptor	0.0019	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.018	0.9472	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.007	0.326	0.326
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0158	0.0158
Entamoeba histolytica	phosphofructokinase, putative	0.013	0.6638	1
Echinococcus multilocularis	lysine specific demethylase 6a	0.0019	0.0338	0.0338
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.1103	0.1164
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0338	0.0357
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.013	0.6638	1
Schistosoma mansoni	hypothetical protein	0.019	1	1
Schistosoma mansoni	lamin	0.0032	0.1103	0.1103
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0589	0.0621
Echinococcus multilocularis	lamin dm0	0.0032	0.1103	0.1103
Echinococcus granulosus	JmjC domain containing protein 4	0.0019	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0338	0.0357
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0255	0.0269
Echinococcus multilocularis	6 phosphofructokinase	0.013	0.6638	0.6638
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0338	0.0357
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0338	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1103	0.1164
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.1103	0.1164
Echinococcus multilocularis	musashi	0.0032	0.1103	0.1103
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.1265	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.01	0.492	0.492
Echinococcus granulosus	phd:f box containing protein	0.0019	0.0338	0.0338
Schistosoma mansoni	jumonji domain containing protein	0.007	0.326	0.326
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.01	0.492	0.492
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0035	0.1265	1
Brugia malayi	bZIP transcription factor family protein	0.01	0.492	0.5195
Leishmania major	cytochrome p450-like protein	0.0023	0.0589	0.0397
Trichomonas vaginalis	phosphofructokinase, putative	0.013	0.6638	1
Leishmania major	ATP-dependent phosphofructokinase	0.013	0.6638	1
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0589	0.0397
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.013	0.6638	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0044	0.1775	0.1775
Brugia malayi	jmjC domain containing protein	0.007	0.326	0.3441
Schistosoma mansoni	jun-related protein	0.0081	0.3863	0.3863
Echinococcus granulosus	jun protein	0.01	0.492	0.492
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.013	0.6638	1
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0589	0.0621
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0044	0.1775	0.1873
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0589	0.0621
Schistosoma mansoni	jumonji/arid domain-containing protein	0.007	0.326	0.326
Echinococcus multilocularis	muscleblind protein	0.018	0.9472	0.9472
Trichomonas vaginalis	phosphofructokinase, putative	0.013	0.6638	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.1265	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.161	0.0642
Echinococcus multilocularis	muscleblind protein 1	0.018	0.9472	0.9472
Schistosoma mansoni	hypothetical protein	0.019	1	1
Schistosoma mansoni	phd/f-box containing protein	0.0019	0.0338	0.0338
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0035	0.1265	0.5
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0019	0.0338	0.0338
Brugia malayi	6-phosphofructokinase	0.013	0.6638	0.7008
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.013	0.6638	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.007	0.326	0.326
Brugia malayi	jmjC domain containing protein	0.0019	0.0338	0.0357
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0255	0.0269
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0044	0.1775	0.1775
Schistosoma mansoni	protein phosphatase 2C	0.0019	0.0338	0.0338
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.1103	0.1164
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.1265	0.5
Schistosoma mansoni	hypothetical protein	0.0062	0.2779	0.2779
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.326	0.3441
Trichomonas vaginalis	phosphofructokinase, putative	0.013	0.6638	1
Echinococcus granulosus	muscleblind protein	0.018	0.9472	0.9472
Brugia malayi	phosphofructokinase	0.013	0.6638	0.7008
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.1265	1
Schistosoma mansoni	6-phosphofructokinase	0.013	0.6638	0.6638
Brugia malayi	jmjC domain containing protein	0.0019	0.0338	0.0357
Schistosoma mansoni	hypothetical protein	0.0081	0.3863	0.3863
Loa Loa (eye worm)	phosphofructokinase	0.013	0.6638	0.7008
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0124	0.0131
Schistosoma mansoni	voltage-gated potassium channel	0.0048	0.2004	0.2004
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0019	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0158	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1445	0.1525
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0589	0.0621
Entamoeba histolytica	phosphofructokinase, putative	0.013	0.6638	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.4766	0.5031
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0589	0.0621
Brugia malayi	jmjC domain containing protein	0.007	0.326	0.3441
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.1265	0.5
Echinococcus multilocularis	lysine specific demethylase 5A	0.007	0.326	0.326
Echinococcus granulosus	lamin dm0	0.0032	0.1103	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0124	0.0131
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.007	0.326	0.326
Echinococcus granulosus	jumonji domain containing 1A	0.0019	0.0338	0.0338
Brugia malayi	6-phosphofructokinase	0.013	0.6638	0.7008
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0158	0.0158
Toxoplasma gondii	6-phosphofructokinase	0.0035	0.1265	1
Loa Loa (eye worm)	6-phosphofructokinase	0.013	0.6638	0.7008
Echinococcus granulosus	lysine specific demethylase 5A	0.007	0.326	0.326
Echinococcus granulosus	intermediate filament protein	0.0032	0.1103	0.1103
Echinococcus multilocularis	jun protein	0.01	0.492	0.492
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0338	0.0357
Schistosoma mansoni	jumonji domain containing protein	0.0019	0.0338	0.0338
Echinococcus multilocularis	lamin	0.0032	0.1103	0.1103
Echinococcus multilocularis	phd:f box containing protein	0.0019	0.0338	0.0338
Brugia malayi	hypothetical protein	0.0078	0.3708	0.3915
Echinococcus granulosus	lysine specific demethylase 6a	0.0019	0.0338	0.0338
Schistosoma mansoni	voltage-gated potassium channel	0.0048	0.2004	0.2004
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.1265	1
Echinococcus granulosus	lamin	0.0032	0.1103	0.1103
Echinococcus multilocularis	geminin	0.019	1	1
Brugia malayi	jmjC domain containing protein	0.0019	0.0338	0.0357
Schistosoma mansoni	lamin	0.0032	0.1103	0.1103
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.161	0.0642
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0019	0.0338	0.0338
Schistosoma mansoni	6-phosphofructokinase	0.013	0.6638	0.6638
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0338	0.0357
Mycobacterium ulcerans	6-phosphofructokinase	0.013	0.6638	1
Brugia malayi	jmjC domain containing protein	0.0019	0.0338	0.0357
Echinococcus multilocularis	jumonji domain containing 1A	0.0019	0.0338	0.0338
Loa Loa (eye worm)	6-phosphofructokinase	0.013	0.6638	0.7008
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.0589	0.0397
Trichomonas vaginalis	phosphofructokinase, putative	0.013	0.6638	1
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0589	0.0397
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.013	0.6638	0.5
Echinococcus granulosus	6 phosphofructokinase	0.013	0.6638	0.6638
Schistosoma mansoni	intermediate filament proteins	0.0032	0.1103	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1069	0.1129
Entamoeba histolytica	phosphofructokinase, putative	0.013	0.6638	1
Onchocerca volvulus		0.0078	0.3708	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0019	0.0338	0.0338
Toxoplasma gondii	phosphofructokinase PFKII	0.0035	0.1265	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0044	0.1775	0.1873
Loa Loa (eye worm)	hypothetical protein	0.018	0.9472	1
Brugia malayi	Muscleblind-like protein	0.018	0.9472	1
Brugia malayi	intermediate filament protein	0.0032	0.1103	0.1164

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	11.2202 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1548677

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 1412772