Detailed information for compound 949634

Basic information

Technical information
  • TDR Targets ID: 949634
  • Name: N-methylsulfonylbenzamide
  • MW: 199.227 | Formula: C8H9NO3S
  • H donors: 1 H acceptors: 3 LogP: 0.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)NS(=O)(=O)C
  • InChi: 1S/C8H9NO3S/c1-13(11,12)9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
  • InChiKey: DMTATAJEGAYCRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-mesylbenzamide
  • ZINC01507891

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0112 0.0837 0.4405
Trypanosoma brucei protein kinase, putative 0.0053 0.0351 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0231 0.1686
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0351 1
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0351 0.2564
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 0.1901 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0351 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0351 0.2564
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0206 0.1504
Brugia malayi hypothetical protein 0.0037 0.0222 0.1168
Schistosoma mansoni hypothetical protein 0.0035 0.0206 0.1504
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0351 0.2564
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0231 0.1686
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0351 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0231 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0837 0.4405
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0545 0.2867
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0206 0.1504
Loa Loa (eye worm) hypothetical protein 0.0038 0.0231 0.1213
Schistosoma mansoni hypothetical protein 0.0035 0.0206 0.1504
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Echinococcus granulosus geminin 0.0176 0.1367 1
Toxoplasma gondii pantoate-beta-alanine ligase 0.1219 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0351 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0351 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0206 0.1082
Echinococcus multilocularis geminin 0.0176 0.1367 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0351 0.1844
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0837 0.4405
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0351 1
Echinococcus granulosus GPCR family 2 0.0035 0.0206 0.1504
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.1219 1 0.5
Schistosoma mansoni hypothetical protein 0.0076 0.0545 0.3985
Schistosoma mansoni hypothetical protein 0.0037 0.0222 0.1624
Schistosoma mansoni hypothetical protein 0.0176 0.1367 1
Echinococcus multilocularis GPCR, family 2 0.0035 0.0206 0.1504
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0222 0.1624
Schistosoma mansoni hypothetical protein 0.0035 0.0206 0.1504
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0231 0.1686
Loa Loa (eye worm) hypothetical protein 0.0076 0.0545 0.2867
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0351 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0351 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0231 0.1686
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0351 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0351 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0206 0.1082
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0231 0.1686
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0222 0.1624
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0351 1
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.1219 1 0.5
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0206 0.1082
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0351 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0231 0.1686
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0206 0.1504
Onchocerca volvulus 0.001 0 0.5
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0231 0.1686
Brugia malayi MAP kinase sur-1 0.0053 0.0351 0.1844
Loa Loa (eye worm) hypothetical protein 0.0035 0.0206 0.1082
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0231 0.1213
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0231 0.1686
Brugia malayi follicle stimulating hormone receptor 0.024 0.1901 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0837 0.4405
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0351 0.2564
Schistosoma mansoni hypothetical protein 0.0176 0.1367 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0351 0.2564
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0222 0.1624
Schistosoma mansoni hypothetical protein 0.0035 0.0206 0.1504
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0206 0.1504

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 256 ug ml-1 Antibacterial activity against Escherichia coli isolate by conventional agar dilution method ChEMBL. 18439830

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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