Detailed information for compound 210538

Basic information

Technical information
  • TDR Targets ID: 210538
  • Name: 2,2-dimethyl-4H-1,4-benzothiazin-3-one
  • MW: 193.265 | Formula: C10H11NOS
  • H donors: 1 H acceptors: 1 LogP: 2 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2ccccc2SC1(C)C
  • InChi: 1S/C10H11NOS/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)
  • InChiKey: KQXBYDQIOLXEDZ-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
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0111 0.1285 0.3115
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0059 0.0144
Brugia malayi Lipase family protein 0.0298 0.4126 1
Echinococcus multilocularis microtubule associated protein 2 0.0685 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0059 0.0144
Loa Loa (eye worm) hypothetical protein 0.0092 0.0982 0.2381
Loa Loa (eye worm) oxidoreductase 0.0031 0.0059 0.0144
Trypanosoma cruzi hypothetical protein, conserved 0.0298 0.4126 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Schistosoma mansoni microtubule-associated protein tau 0.0685 1 1
Brugia malayi Matrixin family protein 0.0221 0.2955 0.716
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0111 0.1285 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0982 0.2381
Loa Loa (eye worm) oxidoreductase 0.0031 0.0059 0.0144
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.003 0.0046 0.0111
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Trypanosoma brucei lipase domain protein, putative 0.0298 0.4126 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0281 0.0237
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0092 0.0982 0.2381
Leishmania major hypothetical protein, conserved 0.0298 0.4126 1
Echinococcus granulosus aldo keto reductase 0.0031 0.0059 0.0014
Echinococcus multilocularis Tolloid protein 1 0.0093 0.1001 0.0959
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0281 0.0281
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0059 0.0144
Onchocerca volvulus 0.0031 0.0059 0.0144
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Schistosoma mansoni aldo-keto reductase 0.0031 0.0059 0.0059
Echinococcus granulosus Tolloid protein 1 0.0093 0.1001 0.0959
Onchocerca volvulus Matrilysin homolog 0.0203 0.2676 0.6486
Brugia malayi Calcium binding EGF domain containing protein 0.003 0.0046 0.0111
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Schistosoma mansoni pol-related 0.0031 0.0059 0.0059
Brugia malayi Fibulin-1 precursor 0.003 0.0046 0.0111
Mycobacterium leprae PROBABLE HYDROLASE 0.0111 0.1285 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0298 0.4126 0.4099
Trypanosoma brucei lipase domain protein, putative 0.0298 0.4126 1
Entamoeba histolytica aldose reductase, putative 0.0031 0.0059 0.5
Loa Loa (eye worm) matrixin family protein 0.0203 0.2676 0.6486
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0281 0.0237
Toxoplasma gondii aldose reductase, putative 0.0031 0.0059 1
Echinococcus multilocularis aldo keto reductase 0.0031 0.0059 0.0014
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0281 0.0682
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Echinococcus multilocularis aldo keto reductase 0.0031 0.0059 0.0014
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0281 0.0682
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0092 0.0982 0.0982
Onchocerca volvulus 0.0031 0.0059 0.0144
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0093 0.1001 0.2425
Onchocerca volvulus 0.0031 0.0059 0.0144
Loa Loa (eye worm) hypothetical protein 0.0038 0.0165 0.0401
Entamoeba histolytica aldose reductase, putative 0.0031 0.0059 0.5
Entamoeba histolytica aldose reductase, putative 0.0031 0.0059 0.5
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0333 0.4649 0.4624
Brugia malayi Matrixin family protein 0.0092 0.0982 0.2381
Brugia malayi Hemopexin family protein 0.013 0.1564 0.3789
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0333 0.4649 0.4624
Loa Loa (eye worm) matrix metalloproteinase 0.0092 0.0982 0.2381
Schistosoma mansoni aldo-keto reductase 0.0031 0.0059 0.0059
Onchocerca volvulus 0.0092 0.0982 0.2381
Onchocerca volvulus 0.0298 0.4126 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0281 0.0237
Onchocerca volvulus 0.0031 0.0059 0.0144
Loa Loa (eye worm) oxidoreductase 0.0031 0.0059 0.0144
Onchocerca volvulus Matrix metalloproteinase homolog 0.0203 0.2676 0.6486
Trypanosoma cruzi hypothetical protein, conserved 0.0298 0.4126 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Loa Loa (eye worm) hypothetical protein 0.003 0.0046 0.0111
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Loa Loa (eye worm) AStacin protease 0.0058 0.0472 0.1145
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0059 0.0144
Onchocerca volvulus Matrilysin homolog 0.0092 0.0982 0.2381
Echinococcus multilocularis aldo keto reductase 0.0031 0.0059 0.0014
Loa Loa (eye worm) oxidoreductase 0.0031 0.0059 0.0144
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0298 0.4126 0.4099
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Trichomonas vaginalis lipase containing protein, putative 0.0298 0.4126 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.1285 0.3115
Schistosoma mansoni hypothetical protein 0.013 0.1564 0.1564
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0059 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0281 0.0237
Loa Loa (eye worm) oxidoreductase 0.0031 0.0059 0.0144
Echinococcus multilocularis aldo keto reductase 0.0031 0.0059 0.0014
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0093 0.1001 0.1001
Loa Loa (eye worm) matrixin family protein 0.0221 0.2955 0.716
Trichomonas vaginalis lipase containing protein, putative 0.0298 0.4126 1
Brugia malayi Matrixin family protein 0.0092 0.0982 0.2381
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Brugia malayi Matrixin family protein 0.0092 0.0982 0.2381
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0059 0.0014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0281 0.0281
Onchocerca volvulus 0.0031 0.0059 0.0144
Onchocerca volvulus 0.013 0.1564 0.3789
Giardia lamblia Aldose reductase 0.0031 0.0059 0.5
Echinococcus granulosus aldo keto reductase 0.0031 0.0059 0.0014
Echinococcus granulosus aldo keto reductase 0.0031 0.0059 0.0014
Loa Loa (eye worm) lipase 0.0298 0.4126 1
Onchocerca volvulus 0.0031 0.0059 0.0144
Giardia lamblia Aldose reductase 0.0031 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.0943 0.2286
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0059 0.0144
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0165 0.2096 0.2096
Echinococcus granulosus hypothetical protein 0.0031 0.0059 0.0014
Mycobacterium ulcerans hydrolase 0.0111 0.1285 1
Brugia malayi Matrixin family protein 0.0092 0.0982 0.2381

Activities

Activity type Activity value Assay description Source Reference
Emax (functional) = 27 % In vitro maximal vasorelaxing effect evoked on endothelium-denuded rat aortic rings was expressed as percentage contractile tension in the presence of 60 microM KCl ChEMBL. 12904071
NC (functional) 0 In vitro vasorelaxing effect evoked on endothelium-denuded rat aortic rings expressed as potency, could not be calculated due to low efficacy ChEMBL. 12904071

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

1 literature reference was collected for this gene.

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