Detailed information for compound 230912

Basic information

Technical information
  • TDR Targets ID: 230912
  • Name: 6-chloro-N-hexyl-1,1-dioxo-4H-thieno[3,2-e][1 ,2,4]thiadiazin-3-amine
  • MW: 321.847 | Formula: C11H16ClN3O2S2
  • H donors: 2 H acceptors: 2 LogP: 3.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCNC1=NS(=O)(=O)c2c(N1)cc(s2)Cl
  • InChi: 1S/C11H16ClN3O2S2/c1-2-3-4-5-6-13-11-14-8-7-9(12)18-10(8)19(16,17)15-11/h7H,2-6H2,1H3,(H2,13,14,15)
  • InChiKey: RUZDFFOOENMQEU-UHFFFAOYSA-N  

Network

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Synonyms

  • (6-chloro-1,1-diketo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-hexyl-amine

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 multilocularis nmda type glutamate receptor 0.0178 0.3667 0.3667
Echinococcus granulosus nmda type glutamate receptor 0.0178 0.3667 0.1292
Echinococcus multilocularis nmda type glutamate receptor 0.028 1 1
Echinococcus multilocularis glutamate receptor NMDA 0.0162 0.2728 0.2728
Schistosoma mansoni glutamate receptor NMDA 0.024 0.7509 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.15 uM Ability to relax phenylephrine-contracted rat aorta rings ChEMBL. 12213059
EC50 (functional) = 0.15 uM Effective concentration required for relaxation of rat aorta rings ChEMBL. 12213059
EC50 (functional) = 0.2 uM Changes in potassium fluxes assessed in the glucose responsive insulin-producing murine cell line beta-TC3 ChEMBL. 12213059
Emax (functional) = 67 % Maximum inhibition of glucose stimulated insulin release from mouse beta-TC6 cells at 10 uM in vitro. ChEMBL. 12213059
Emax (functional) = 67 % Maximum inhibition of glucose stimulated insulin release from mouse beta-TC6 cells at 10 uM in vitro. ChEMBL. 12213059
IC50 (functional) = 7.1 uM Ability to inhibit the release of insulin from the mouse beta-TC6 cell line ChEMBL. 12213059
IC50 (functional) = 7.1 uM Ability to inhibit the release of insulin from the mouse beta-TC6 cell line ChEMBL. 12213059

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 12213059

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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