Detailed information for compound 164731

Basic information

Technical information
  • TDR Targets ID: 164731
  • Name: 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiad iazine 1,1-dioxide
  • MW: 199.23 | Formula: C7H9N3O2S
  • H donors: 1 H acceptors: 3 LogP: -0.19 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CNS(=O)(=O)c2c1ccnc2
  • InChi: 1S/C7H9N3O2S/c1-10-5-9-13(11,12)7-4-8-3-2-6(7)10/h2-4,9H,5H2,1H3
  • InChiKey: KMFXWCBZHDFSFC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.2584 0.5
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.0419 0.623 1
Leishmania major monoglyceride lipase, putative 0.0218 0.2584 1
Schistosoma mansoni amidase 0.0626 1 1
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0426 0.6354 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0076 0 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0218 0.2584 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0218 0.2584 0.4148
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0626 1 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0218 0.2584 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0626 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0218 0.2584 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0218 0.2584 1
Mycobacterium ulcerans lysophospholipase 0.0218 0.2584 0.4067
Trypanosoma brucei monoglyceride lipase, putative 0.0218 0.2584 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0218 0.2584 1
Loa Loa (eye worm) hypothetical protein 0.0626 1 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0218 0.2584 0.5
Mycobacterium ulcerans hypothetical protein 0.0218 0.2584 0.4067
Trichomonas vaginalis conserved hypothetical protein 0.0218 0.2584 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0626 1 1
Plasmodium falciparum esterase, putative 0.0218 0.2584 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0218 0.2584 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.2584 0.5
Plasmodium falciparum lysophospholipase, putative 0.0218 0.2584 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.2584 0.5
Plasmodium vivax PST-A protein 0.0218 0.2584 1
Plasmodium falciparum lysophospholipase, putative 0.0218 0.2584 1
Plasmodium falciparum lysophospholipase, putative 0.0218 0.2584 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0626 1 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0076 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.2584 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0626 1 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0076 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0218 0.2584 0.5

Activities

Activity type Activity value Assay description Source Reference
A50 (functional) = 216 uM Effect on amplitude of the postsynaptic excitatory potentials induced by electric stimulation in rat hippocampal slices ChEMBL. 9685234
D50 (functional) = 130 uM Effect on duration of the postsynaptic excitatorypotentials induced by electric stimulation in rat hippocampal slices ChEMBL. 9685234
EC2x (functional) = 63 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) = 63 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) = 283 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) = 283 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
Ratio (functional) = 0.6 Ratio between the D50 value and the A50 value ChEMBL. 9685234
RIS (functional) = 95.8 % 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.