Detailed information for compound 942302

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.448 | Formula: C20H18N4O2S
  • H donors: 3 H acceptors: 3 LogP: 3.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1n[nH]c2c1ccc(c2)c1ccc(cc1)NS(=O)(=O)Cc1ccccc1
  • InChi: 1S/C20H18N4O2S/c21-20-18-11-8-16(12-19(18)22-23-20)15-6-9-17(10-7-15)24-27(25,26)13-14-4-2-1-3-5-14/h1-12,24H,13H2,(H3,21,22,23)
  • InChiKey: UGDSZKWHKFSUTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Schistosoma japonicum ko:K04456 RAC serine/threonine-protein kinase, putative 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
Trypanosoma cruzi Protein kinase B 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
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
Trichomonas vaginalis AGC family protein kinase 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
Plasmodium falciparum RAC-beta serine/threonine protein kinase 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
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 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
Entamoeba histolytica PH domain containing protein kinase, putative 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
Schistosoma mansoni serine/threonine-protein kinase 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
Echinococcus granulosus serine threonine protein kinase nrc 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 serine threonine protein kinase nrc serine threonine protein kinase gad 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
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative 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/RSK/P70 protein kinase 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
Schistosoma japonicum ko:K08792 serum/glucocorticoid regulated 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
Trypanosoma brucei rac serine-threonine kinase, putative 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 PH domain containing 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
Giardia lamblia Kinase, AGC PKA 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
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, 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
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
Trichomonas vaginalis AGC family protein kinase 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
Echinococcus multilocularis nervana 2 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
Schistosoma mansoni serine/threonine-protein kinase 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
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative 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
Echinococcus multilocularis nervana 2 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 sodium:potassium dependent atpase beta subunit 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
Plasmodium berghei rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase 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
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 AGC family protein kinase 0.005 0.0579 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0324 1 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.005 0.0579 0.5
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Schistosoma mansoni retinoic acid receptor RXR 0.0324 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0324 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0579 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0153 0.411 0.3748
Loa Loa (eye worm) steroid hormone receptor 0.0324 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0153 0.411 0.411
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0153 0.411 0.411
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0153 0.411 0.411
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0324 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0033 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0579 0.5
Loa Loa (eye worm) hypothetical protein 0.0171 0.4741 0.4417
Trichomonas vaginalis AGC family protein kinase 0.005 0.0579 0.5
Brugia malayi nuclear receptor RXR 0.0153 0.411 0.3748
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.4741 0.4417
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0324 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Onchocerca volvulus Protein ultraspiracle homolog 0.0324 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0153 0.411 0.411
Schistosoma mansoni nuclear receptor 0.0153 0.411 0.411
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0324 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0324 1 1
Brugia malayi nuclear receptor NHR-88 0.0153 0.411 0.3748
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0171 0.4741 0.4741
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0171 0.4741 0.4417
Brugia malayi hypothetical protein 0.0171 0.4741 0.4417
Schistosoma mansoni nuclear hormone receptor 0.0324 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0324 1 1
Brugia malayi hypothetical protein 0.0171 0.4741 0.4417
Echinococcus granulosus nuclear receptor nhr 48 0.0153 0.411 0.411
Brugia malayi steroid hormone receptor 0.0324 1 1
Loa Loa (eye worm) DR-78 0.0153 0.411 0.3748
Schistosoma mansoni zinc finger protein 0.0153 0.411 0.411
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Brugia malayi nuclear hormone receptor family member nhr-6 0.0153 0.411 0.3748
Loa Loa (eye worm) hypothetical protein 0.0171 0.4741 0.4417
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0324 1 1
Schistosoma mansoni coup transcription factor 0.0324 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Brugia malayi nuclear hormone receptor family member odr-7 0.0153 0.411 0.3748
Echinococcus granulosus Nuclear hormone receptor HR96 0.0153 0.411 0.411
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Trypanosoma cruzi Protein kinase B 0.0033 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0153 0.411 0.3748
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0153 0.411 0.3748
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0324 1 1
Brugia malayi nuclear receptor RXR 0.0171 0.4741 0.4417
Echinococcus granulosus ecdysone induced protein 78C 0.0324 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0033 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0171 0.4741 0.4417
Entamoeba histolytica protein kinase, putative 0.005 0.0579 1
Brugia malayi ecdysone receptor 0.0153 0.411 0.3748
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0324 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0579 0.5
Brugia malayi tailless protein 0.0153 0.411 0.3748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0324 1 1
Brugia malayi Nuclear hormone receptor E75 0.0153 0.411 0.3748
Toxoplasma gondii AGC kinase 0.005 0.0579 0.5
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.4741 0.4417
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0171 0.4741 0.4741
Schistosoma mansoni nuclear receptor nhr-48 0.0153 0.411 0.411
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0171 0.4741 0.4741
Giardia lamblia Kinase, AGC PKA 0.0033 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.4741 0.4417
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0324 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0324 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0324 1 1
Schistosoma mansoni thyroid hormone receptor 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0324 1 1
Brugia malayi hypothetical protein 0.0153 0.411 0.3748
Onchocerca volvulus Bile acid receptor homolog 0.0324 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0324 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0153 0.411 0.411
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0153 0.411 0.411
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0324 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0324 1 1
Brugia malayi nuclear hormone receptor 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0324 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0153 0.411 0.411
Echinococcus granulosus thyroid hormone receptor alpha 0.0153 0.411 0.411
Brugia malayi hypothetical protein 0.0153 0.411 0.3748
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0324 1 1
Brugia malayi nuclear hormone receptor 0.0153 0.411 0.3748
Schistosoma mansoni nuclear receptor 0.0153 0.411 0.411
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0324 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0153 0.411 0.411
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0324 1 1
Onchocerca volvulus 0.0324 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0579 0.5
Schistosoma mansoni nuclear hormone receptor 0.0153 0.411 0.411
Schistosoma mansoni steroid hormone receptor ad4bp 0.0324 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0324 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0153 0.411 0.411
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0324 1 1
Entamoeba histolytica protein kinase, putative 0.005 0.0579 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0324 1 1
Brugia malayi conserved hypotetical protein 0.0153 0.411 0.3748
Entamoeba histolytica protein kinase, putative 0.005 0.0579 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0324 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0171 0.4741 0.4417
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0324 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0324 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0324 1 1
Brugia malayi nuclear receptor NHR-67 0.0153 0.411 0.3748
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0324 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0324 1 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0579 0.5
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0033 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0324 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0324 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0324 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0153 0.411 0.3748
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0153 0.411 0.411
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0153 0.411 0.3748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0324 1 1
Brugia malayi nuclear receptor NHR-88 0.0324 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0153 0.411 0.3748
Brugia malayi Steroid receptor seven-up type 2 0.0324 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0153 0.411 0.411
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0324 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0171 0.4741 0.4741
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Echinococcus multilocularis thyroid hormone receptor alpha 0.0324 1 1
Schistosoma mansoni nuclear hormone receptor 0.0153 0.411 0.411
Schistosoma mansoni thyroid hormone receptor 0.0324 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.411 0.3748
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0324 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.315 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

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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