Detailed information for compound 1804166

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.28 | Formula: C7H9NO5S2
  • H donors: 0 H acceptors: 5 LogP: 0.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)Oc1cccc(n1)S(=O)(=O)C
  • InChi: 1S/C7H9NO5S2/c1-14(9,10)7-5-3-4-6(8-7)13-15(2,11)12/h3-5H,1-2H3
  • InChiKey: VFTUMJPKAGYWII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus hypothetical protein 0.0343 0.9828 0.9738
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0346 1 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0346 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0346 1 1
Loa Loa (eye worm) cuticular endochitinase 0.0155 0.1062 0.1062
Entamoeba histolytica hypothetical protein 0.0206 0.3442 1
Leishmania major protein kinase, putative 0.0346 1 1
Loa Loa (eye worm) hypothetical protein 0.0246 0.5301 0.5301
Giardia lamblia Kinase, CMGC CLK 0.0346 1 0.5
Entamoeba histolytica protein kinase, putative 0.0206 0.3442 1
Loa Loa (eye worm) microfilarial chitinase 0.0151 0.087 0.087
Loa Loa (eye worm) chitinase I 0.0155 0.1062 0.1062
Onchocerca volvulus 0.0246 0.5301 1
Onchocerca volvulus Putative endochitinase 0.0173 0.1932 0.2052
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0346 1 1
Onchocerca volvulus Putative endochitinase 0.0173 0.1932 0.2052
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0246 0.5301 0.2834
Loa Loa (eye worm) hypothetical protein 0.0202 0.327 0.327
Schistosoma mansoni hypothetical protein 0.0246 0.5301 0.2834
Echinococcus multilocularis 0.0343 0.9828 0.9738
Brugia malayi Endochitinase 0.0173 0.1932 0.0973
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0346 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0206 0.3442 0.2663
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0346 1 1
Mycobacterium ulcerans chitinase/cellulase 0.0132 0 0.5
Plasmodium falciparum protein serine/threonine kinase-1 0.0346 1 1
Brugia malayi Protein kinase domain containing protein 0.0206 0.3442 0.2663
Schistosoma mansoni serine/threonine protein kinase 0.0346 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0346 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0346 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.327 0.327
Mycobacterium ulcerans chitinase/cellulase 0.0132 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0246 0.5301 0.5301
Plasmodium vivax serine/threonine kinase-1, putative 0.0346 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0346 1 0.5
Onchocerca volvulus 0.0246 0.5301 1
Onchocerca volvulus Putative endochitinase 0.0173 0.1932 0.2052
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0346 1 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0246 0.5301 0.2834
Entamoeba histolytica protein kinase domain containing protein 0.0206 0.3442 1
Mycobacterium tuberculosis Possible chitinase 0.0132 0 0.5
Entamoeba histolytica protein kinase, putative 0.0206 0.3442 1
Brugia malayi endochitinase 0.0173 0.1932 0.0973
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0246 0.5301 0.4742
Loa Loa (eye worm) hypothetical protein 0.0343 0.9828 0.9828
Echinococcus granulosus dual specificity protein kinase clk2 0.0346 1 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0206 0.3442 0.3442
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0346 1 1
Leishmania major protein kinase, putative 0.0346 1 1

Activities

Activity type Activity value Assay description Source Reference
log(1/I50) (binding) = 7.17 Inhibition of susceptible Nephotettix cincticeps Ageo (green rice leafhopper) acetylcholinesterase activity ChEMBL. No reference
log(1/I50) (binding) = 607 Inhibition of susceptible Nephotettix cincticeps Izumi (green rice leafhopper) acetylcholinesterase activity 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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