Detailed information for compound 308874

Basic information

Technical information
  • TDR Targets ID: 308874
  • Name: 4-cyclohexyl-3-methylpyrido[4,3-e][1,2,4]thia diazine 1,1-dioxide
  • MW: 279.358 | Formula: C13H17N3O2S
  • H donors: 0 H acceptors: 3 LogP: 1.3 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=NS(=O)(=O)c2c(N1C1CCCCC1)ccnc2
  • InChi: 1S/C13H17N3O2S/c1-10-15-19(17,18)13-9-14-8-7-12(13)16(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
  • InChiKey: BHWCJYVGTOOZAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-cyclohexyl-3-methyl-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

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 dexras1, putative 0.0565 0.3226 0.0611
Trichomonas vaginalis rap1 and, putative 0.0565 0.3226 0.0611
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0794 1 1
Loa Loa (eye worm) Ras protein let-60 0.0565 0.3226 0.0611
Trypanosoma cruzi protein farnesyltransferase, putative 0.0794 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0794 1 1
Entamoeba histolytica ras-1, putative 0.0565 0.3226 0.0611
Giardia lamblia Prenyltransferase 0.0794 1 1
Loa Loa (eye worm) hypothetical protein 0.0565 0.3226 0.0611
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0794 1 0.5
Echinococcus granulosus ras gtpase 0.0565 0.3226 0.0611
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0794 1 1
Entamoeba histolytica Ras family GTPase 0.0565 0.3226 0.0611
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0672 0.6389 0.5
Trichomonas vaginalis rheb, putative 0.0565 0.3226 0.0611
Brugia malayi Ras-related protein R-Ras2 0.0565 0.3226 0.0611
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0794 1 1
Trichomonas vaginalis ras-dva small GTPase, putative 0.0565 0.3226 0.0611
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0578 0.3611 0.1144
Trichomonas vaginalis GTP-binding protein rit, putative 0.0565 0.3226 0.0611
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0794 1 1
Entamoeba histolytica Ras family GTPase 0.0565 0.3226 0.0611
Brugia malayi Ras protein let-60 0.0565 0.3226 0.0611
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0794 1 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0794 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0794 1 1
Echinococcus multilocularis ras gtpase 0.0565 0.3226 0.0611
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0794 1 1
Trichomonas vaginalis ral, putative 0.0565 0.3226 0.0611
Trypanosoma cruzi protein farnesyltransferase, putative 0.0794 1 1
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0794 1 1
Leishmania major farnesyltransferase beta subunit 0.0794 1 1
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0794 1 1
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0794 1 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0794 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0794 1 1

Activities

Activity type Activity value Assay description Source Reference
Residual contractile activity (functional) = 52 % Percentage of residual contractile response at 500 uM from isolated rat aorta ChEMBL. 8632417
Residual insulin secretion (functional) = 87.9 % Residual insulin release from rat pancreatic islets at a concentration of 50 uM ChEMBL. 8632417

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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