Detailed information for compound 45848

Basic information

Technical information
  • TDR Targets ID: 45848
  • Name: 1,1-dioxo-N-propan-2-yl-4H-pyrido[2,3-e][1,2, 4]thiadiazin-3-amine
  • MW: 240.282 | Formula: C9H12N4O2S
  • H donors: 2 H acceptors: 3 LogP: 0.27 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC1=NS(=O)(=O)c2c(N1)nccc2)C
  • InChi: 1S/C9H12N4O2S/c1-6(2)11-9-12-8-7(4-3-5-10-8)16(14,15)13-9/h3-6H,1-2H3,(H2,10,11,12,13)
  • InChiKey: UGOZBIHNNKXAPS-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-isopropyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine
  • (1,1-diketo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)-isopropyl-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
Trichomonas vaginalis cyclin B, putative 0.1036 1 0.5
Echinococcus granulosus cyclin b3 0.1036 1 0.5
Trichomonas vaginalis cyclins, putative 0.1036 1 0.5
Trichomonas vaginalis cyclin A, putative 0.1036 1 0.5
Trichomonas vaginalis cyclin B, putative 0.1036 1 0.5
Echinococcus multilocularis cyclins 0.1036 1 0.5
Trichomonas vaginalis cyclin D, putative 0.1036 1 0.5
Echinococcus granulosus cyclins 0.1036 1 0.5
Echinococcus granulosus cyclins 0.1036 1 0.5
Trypanosoma cruzi cyclin, putative 0.1036 1 0.5
Trichomonas vaginalis cyclins, putative 0.1036 1 0.5
Echinococcus granulosus cyclins 0.1036 1 0.5
Echinococcus multilocularis cyclins 0.1036 1 0.5
Trypanosoma cruzi cyclin, putative 0.1036 1 0.5
Trypanosoma cruzi CYC2-like cyclin, putative 0.1036 1 0.5
Echinococcus multilocularis cyclins 0.1036 1 0.5
Echinococcus multilocularis cyclins 0.1036 1 0.5
Schistosoma mansoni cyclin B 0.1036 1 0.5
Trichomonas vaginalis cyclin B3, putative 0.1036 1 0.5
Entamoeba histolytica cyclin family protein 0.1036 1 0.5
Trichomonas vaginalis cyclin B, putative 0.1036 1 0.5
Trichomonas vaginalis cyclins, putative 0.1036 1 0.5
Echinococcus multilocularis cyclin b3 0.1036 1 0.5
Trichomonas vaginalis cyclins, putative 0.1036 1 0.5
Echinococcus multilocularis cyclins 0.1036 1 0.5
Trichomonas vaginalis cyclin B, putative 0.1036 1 0.5
Onchocerca volvulus 0.1036 1 0.5
Schistosoma mansoni cyclin B3 0.1036 1 0.5
Plasmodium falciparum cyclin 0.1036 1 0.5
Giardia lamblia Hypothetical protein 0.1036 1 0.5
Trichomonas vaginalis cyclins, putative 0.1036 1 0.5
Schistosoma mansoni cyclins 0.1036 1 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.1036 1 0.5
Echinococcus granulosus cyclins 0.1036 1 0.5
Trichomonas vaginalis cyclin B, putative 0.1036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1036 1 0.5
Echinococcus granulosus cyclin B 0.1036 1 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.1036 1 0.5
Trypanosoma cruzi cyclin 6, putative 0.1036 1 0.5
Trichomonas vaginalis cyclin D, putative 0.1036 1 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.1036 1 0.5
Echinococcus granulosus cyclin B3 1 0.1036 1 0.5
Leishmania major cyclin 0.1036 1 0.5
Toxoplasma gondii hypothetical protein 0.0786 0 0.5
Echinococcus granulosus G2:mitotic specific cyclin B3 0.1036 1 0.5
Loa Loa (eye worm) cyclin domain-containing protein 0.1036 1 0.5
Trypanosoma brucei mitotic cyclin 6 0.1036 1 0.5
Entamoeba histolytica cyclin, putative 0.1036 1 0.5
Echinococcus multilocularis cyclins 0.1036 1 0.5
Entamoeba histolytica cyclin family protein 0.1036 1 0.5
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.1036 1 0.5
Echinococcus multilocularis cyclin B 0.1036 1 0.5
Echinococcus granulosus cyclins 0.1036 1 0.5
Echinococcus multilocularis cyclins 0.1036 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1036 1 0.5
Entamoeba histolytica cyclin, putative 0.1036 1 0.5
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.1036 1 0.5
Giardia lamblia Cyclin A 0.1036 1 0.5
Echinococcus multilocularis cyclin B3 1 0.1036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1036 1 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 131.8 uM Concentration giving 50% relaxation of the 30 mM KCL-induced contraction of rat aorta rings ChEMBL. 10780901
ED50 (functional) > 300 uM Inhibition of electrically stimulated contractions of guinea pig ileum segments. ChEMBL. 10780901
ND (functional) 0 Effect on Insulin secretion from rat pancreatic islets in the presence of 16.7 mM glucose at 10 uM; Not determined. ChEMBL. 10780901
RIS (functional) = 78.7 % Insulin secretion from rat pancreatic islets (RIS) in the presence of 16.7 mM glucose at 50 uM ChEMBL. 10780901

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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