Detailed information for compound 943093

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.456 | Formula: C21H16N6O2S
  • H donors: 3 H acceptors: 5 LogP: 2.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1n[nH]c2c1ncc(n2)c1ccc(cc1)NS(=O)(=O)c1cccc2c1cccc2
  • InChi: 1S/C21H16N6O2S/c22-20-19-21(26-25-20)24-17(12-23-19)14-8-10-15(11-9-14)27-30(28,29)18-7-3-5-13-4-1-2-6-16(13)18/h1-12,27H,(H3,22,24,25,26)
  • InChiKey: APEZSRSLDCCOAT-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

Species Target name Source Bibliographic reference
Homo sapiens serum/glucocorticoid regulated kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Neospora caninum Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium berghei rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium yoelii kinase Akt/PKB-related Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma congolense rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K08792 serum/glucocorticoid regulated kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase 2, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Giardia lamblia Kinase, AGC PKA Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium vivax rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus calcium:calmodulin dependent protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi Protein kinase B Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium knowlesi RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K04456 RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine threonine protein kinase nrc Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis rac serine:threonine kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans likely protein kinase similar to S. cerevisiae YPK2 (YMR104C) Get druggable targets OG5_126635 All targets in OG5_126635
Toxoplasma gondii AGC kinase Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/AKT protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/RSK/P70 protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium falciparum RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi p70 ribosomal S6 kinase beta Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, putative Get druggable targets OG5_126635 All targets in OG5_126635

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
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0902 1 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0033 0.0004 0.5
Brugia malayi galectin 0.0902 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0198 0.5
Toxoplasma gondii AGC kinase 0.005 0.0198 0.5
Onchocerca volvulus Galectin homolog 0.0902 1 0.5
Trypanosoma cruzi Protein kinase B 0.0033 0.0004 0.5
Onchocerca volvulus Galectin homolog 0.0902 1 0.5
Trichomonas vaginalis AGC family protein kinase 0.005 0.0198 0.5
Echinococcus multilocularis Galectin, carbohydrate recognition domain 0.0902 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0033 0.0004 0.5
Brugia malayi Galactoside-binding lectin family protein 0.0902 1 1
Brugia malayi Galactoside-binding lectin family protein 0.0902 1 1
Entamoeba histolytica protein kinase, putative 0.005 0.0198 1
Loa Loa (eye worm) hypothetical protein 0.0902 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0902 1 1
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0902 1 1
Loa Loa (eye worm) hypothetical protein 0.0902 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0198 0.5
Echinococcus granulosus serine threonine protein kinase nrc 0.0033 0.0004 0.0004
Trypanosoma brucei rac serine-threonine kinase, putative 0.005 0.0198 0.5
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0902 1 1
Giardia lamblia Kinase, AGC PKA 0.0033 0.0004 0.5
Loa Loa (eye worm) galectin 0.0902 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0198 0.5
Echinococcus multilocularis rac serine:threonine kinase 0.0033 0.0004 0.0004
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0033 0.0004 0.5
Entamoeba histolytica protein kinase, putative 0.005 0.0198 1
Schistosoma mansoni galectin 0.0902 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0198 0.5
Entamoeba histolytica protein kinase, putative 0.005 0.0198 1
Brugia malayi galectin 0.0902 1 1
Loa Loa (eye worm) galectin 0.0902 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0198 0.5
Trichomonas vaginalis AGC family protein kinase 0.005 0.0198 0.5
Brugia malayi Galactoside-binding lectin family protein 0.0902 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0033 0.0004 0.5
Echinococcus granulosus Galectin carbohydrate recognition domain 0.0902 1 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0033 0.0004 0.0004
Echinococcus granulosus serine/threonine protein kinase 0.0033 0.0004 0.0004

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.016 uM Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP ChEMBL. 25589934
IC50 (binding) = 0.76 uM Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 500 uM ATP ChEMBL. 25589934

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.