Detailed information for compound 1323759

Basic information

Technical information
  • TDR Targets ID: 1323759
  • Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2,1,3-benz othiadiazole-7-sulfonamide
  • MW: 347.434 | Formula: C11H13N3O4S3
  • H donors: 0 H acceptors: 6 LogP: 0.51 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(S(=O)(=O)c1cccc2c1nsn2)C1CCS(=O)(=O)C1
  • InChi: 1S/C11H13N3O4S3/c1-14(8-5-6-20(15,16)7-8)21(17,18)10-4-2-3-9-11(10)13-19-12-9/h2-4,8H,5-7H2,1H3
  • InChiKey: FGWBPWIWOCVDAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,1-dioxo-3-thiolanyl)-N-methyl-2,1,3-benzothiadiazole-7-sulfonamide
  • N-(1,1-diketothiolan-3-yl)-N-methyl-piazthiole-4-sulfonamide
  • Oprea1_684866
  • ChemDiv2_005293
  • BAS 05253266
  • ST048554
  • A2882/0121520
  • MLS000036447
  • SMR000041241
  • IDI1_004008
  • EU-0053520

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus muscleblind 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0163 0.1607 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0507 0.6389 1
Brugia malayi Muscleblind-like protein 0.018 0.1842 0.2822
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0163 0.1607 0.1969
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.037 0.4482 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0163 0.1607 0.2451
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0079 0.0435 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0489 0.6138 0.9607
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.037 0.4482 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.037 0.4482 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0682 0.8828 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0293 0.3404 0.5288
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0163 0.1607 0.2515
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0079 0.0435 0.0162
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0079 0.0435 0.0162
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0507 0.6389 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0079 0.0435 1
Echinococcus granulosus muscleblind protein 0.018 0.1842 0.161
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0079 0.0435 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0378 0.4592 0.6981
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.037 0.4482 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0294 0.342 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0079 0.0435 0.0258
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0202 0.2144 0.1921
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0079 0.0435 0.068
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.037 0.4482 0.5
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0079 0.0435 0.0434
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0378 0.4592 0.6981
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0163 0.1607 0.1368
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1338 0.1463
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0079 0.0435 0.068
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0079 0.0435 0.0601
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0507 0.6389 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0145 0.1356 0.1484
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0766 1 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.037 0.4482 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1338 0.1463
Loa Loa (eye worm) hypothetical protein 0.018 0.1842 0.2038
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0163 0.1607 0.2176
Leishmania major phosphatidylinositol 3-kinase, putative 0.0079 0.0435 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0202 0.2144 0.2383
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0202 0.2144 0.5
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0259 0.2942 0.4558
Entamoeba histolytica hypothetical protein 0.0423 0.5217 0.8165
Echinococcus multilocularis muscleblind protein 0.018 0.1842 0.161
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0079 0.0435 0.0162
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0163 0.1607 0.1969
Brugia malayi prolyl oligopeptidase family protein 0.0202 0.2144 0.33
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0423 0.5217 0.8165
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0766 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0068 0.0277 0.0352
Loa Loa (eye worm) hypothetical protein 0.0293 0.3404 0.3819
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0202 0.2144 0.1921
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0507 0.6389 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1842 0.2038
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0079 0.0435 0.0258
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0079 0.0435 0.0162
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0293 0.3404 0.3216
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0507 0.6389 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0202 0.2144 0.1921
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0163 0.1607 0.1969
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.037 0.4482 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0163 0.1607 0.2515
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0145 0.1356 0.1766
Chlamydia trachomatis oxoacyl-ACP synthase III 0.037 0.4482 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0507 0.6389 1
Brugia malayi MH2 domain containing protein 0.0144 0.1338 0.2027
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0208 0.2232 0.3494
Loa Loa (eye worm) hypothetical protein 0.0214 0.2316 0.2578
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0079 0.0435 0.1187
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0079 0.0435 0.0162
Echinococcus multilocularis muscleblind protein 1 0.018 0.1842 0.161
Echinococcus multilocularis Zinc finger, PHD finger 0.0079 0.0435 0.0162
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0293 0.3404 0.3216
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0507 0.6389 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No 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

Bibliographic References

No literature references available for this target.

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