Detailed information for compound 166333

Basic information

Technical information
  • TDR Targets ID: 166333
  • Name: 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]t hiadiazine 1,1-dioxide
  • MW: 199.23 | Formula: C7H9N3O2S
  • H donors: 2 H acceptors: 3 LogP: 0.11 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1Nc2ccncc2S(=O)(=O)N1
  • InChi: 1S/C7H9N3O2S/c1-5-9-6-2-3-8-4-7(6)13(11,12)10-5/h2-5,9-10H,1H3
  • InChiKey: OXTKQKOHBQWAGE-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
Mycobacterium ulcerans hypothetical protein 0.1788 1 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0254 0.1243 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0036 0 0.5
Onchocerca volvulus 0.1692 0.9455 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0254 0.1243 1
Mycobacterium tuberculosis Probable aminotransferase 0.1788 1 1
Echinococcus multilocularis Aminotransferase class III 0.0254 0.1243 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0254 0.1243 0.1243
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0036 0 0.5
Echinococcus granulosus ornithine aminotransferase 0.0254 0.1243 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0254 0.1243 0.1243
Echinococcus granulosus Aminotransferase class III 0.0254 0.1243 1
Echinococcus multilocularis ornithine aminotransferase 0.0254 0.1243 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1788 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0254 0.1243 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0036 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0036 0 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0254 0.1243 0.5
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0254 0.1243 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0036 0 0.5
Mycobacterium ulcerans acetylornithine aminotransferase 0.0254 0.1243 0.1243
Plasmodium vivax ornithine aminotransferase, putative 0.0254 0.1243 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0036 0 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.1692 0.9455 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0254 0.1243 0.1243
Trypanosoma cruzi aminopeptidase, putative 0.0036 0 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1788 1 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0254 0.1243 0.1243
Brugia malayi Pax transcription factor protein 2 0.1692 0.9455 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0036 0 0.5
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0254 0.1243 0.1243
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0254 0.1243 0.1315
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1788 1 1
Entamoeba histolytica aminopeptidase, putative 0.0036 0 0.5
Plasmodium falciparum ornithine aminotransferase 0.0254 0.1243 0.5

Activities

Activity type Activity value Assay description Source Reference
EC2x (functional) = 500 uM Concentration of drug giving a 2-fold increase of the magnitude of the current induced by Ionotropic glutamate receptor AMPA (30 microM) and measured in Xenopus Oocytes expressing Rat Cortex AMPA Receptors ChEMBL. 9685234
EC2x (functional) = 500 uM Concentration of drug giving a 2-fold increase of the magnitude of the current induced by Ionotropic glutamate receptor AMPA (30 microM) and measured in Xenopus Oocytes expressing Rat Cortex AMPA Receptors ChEMBL. 9685234
EC5X (functional) > 1000 uM concentration of drug giving a 5-fold increase of the magnitude of the current induced by Ionotropic glutamate receptor AMPA (30 microM) and measured in Xenopus Oocytes expressing Rat Cortex AMPA Receptors ChEMBL. 9685234
EC5X (functional) > 1000 uM concentration of drug giving a 5-fold increase of the magnitude of the current induced by Ionotropic glutamate receptor AMPA (30 microM) and measured in Xenopus Oocytes expressing Rat Cortex AMPA Receptors ChEMBL. 9685234
logD = 0.13 Partition coefficient was measured in between 1-octanol and aqueous buffer solution of pH 7.4 ChEMBL. 9685234
RIS (functional) = 93.6 % Residual insulin release from rat pancreatic islets incubated in the presence of an insulinotropic (16.7 microM) glucose concentration and at a 50 microM concentration of drug ChEMBL. 9685234

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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