Detailed information for compound 1569733

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.481 | Formula: C20H24N2O4S
  • H donors: 1 H acceptors: 4 LogP: 2.87 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCS(=O)(=O)NC(=O)C1(C)CCN(C1)C(=O)c1ccc2c(c1)cccc2
  • InChi: 1S/C20H24N2O4S/c1-3-12-27(25,26)21-19(24)20(2)10-11-22(14-20)18(23)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13H,3,10-12,14H2,1-2H3,(H,21,24)
  • InChiKey: HLFKKGNADDZYIS-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Hr1 repeat family protein 0.4769 0.3057 0.3057
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.4769 0.3057 0.4632
Entamoeba histolytica protein kinase, putative 1.4298 1 1
Trichomonas vaginalis AGC family protein kinase 1.4298 1 1
Echinococcus granulosus Protein kinase C brain isozyme 0.4769 0.3057 0.4632
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.4769 0.3057 0.4632
Echinococcus multilocularis Protein kinase C, brain isozyme 0.4769 0.3057 0.4632
Echinococcus multilocularis Glutaredoxin protein 5 0.9148 0.6248 0.9466
Brugia malayi Protein kinase domain containing protein 0.4769 0.3057 0.3057
Echinococcus granulosus serine/threonine protein kinase 0.9631 0.66 1
Brugia malayi p70 ribosomal S6 kinase beta 1.3917 0.9722 0.9722
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.4769 0.3057 0.4632
Trypanosoma cruzi rac serine-threonine kinase, putative 0.9631 0.66 1
Leishmania major histone deacetylase, putative 0.0573 0 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.4769 0.3057 0.3057
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.925 0.6323 1
Schistosoma mansoni serine/threonine protein kinase 0.4769 0.3057 0.4632
Schistosoma mansoni serine/threonine protein kinase 0.4769 0.3057 0.4632
Echinococcus granulosus protein kinase C gamma type 0.4769 0.3057 0.4632
Trichomonas vaginalis AGC family protein kinase 0.4769 0.3057 0.0107
Echinococcus multilocularis serine:threonine protein kinase 38 0.4769 0.3057 0.4632
Entamoeba histolytica protein kinase 2, putative 0.925 0.6323 0.4703
Giardia lamblia Kinase, AGC PKA 0.925 0.6323 0.5
Schistosoma mansoni serine/threonine protein kinase 0.4769 0.3057 0.4632
Schistosoma mansoni serine/threonine-protein kinase 0.9631 0.66 1
Echinococcus granulosus nervana 2 0.9148 0.6248 0.9466
Trichomonas vaginalis AGC family protein kinase 1.4298 1 1
Loa Loa (eye worm) hypothetical protein 0.4769 0.3057 0.3057
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.9148 0.6248 0.9466
Entamoeba histolytica protein kinase, putative 1.3917 0.9722 0.96
Schistosoma mansoni serine/threonine kinase 0.4769 0.3057 0.4632
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.9148 0.6248 0.9466
Schistosoma mansoni serine/threonine-protein kinase 0.9631 0.66 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 1.3917 0.9722 0.9722
Loa Loa (eye worm) AGC/NDR protein kinase 0.4769 0.3057 0.3057
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.4769 0.3057 0.4632
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.4769 0.3057 0.4632
Echinococcus multilocularis serine threonine protein kinase 0.4769 0.3057 0.4632
Loa Loa (eye worm) AGC/AKT protein kinase 1.4298 1 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.4769 0.3057 0.4632
Brugia malayi Protein kinase domain containing protein 0.4769 0.3057 0.3057
Toxoplasma gondii AGC kinase 1.3917 0.9722 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.4769 0.3057 0.3057
Trichomonas vaginalis AGC family protein kinase 1.4298 1 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.925 0.6323 0.958
Trichomonas vaginalis AGC family protein kinase 1.4298 1 1
Trypanosoma cruzi Protein kinase B 0.9631 0.66 1
Trichomonas vaginalis AGC family protein kinase 0.4769 0.3057 0.0107
Trichomonas vaginalis AGC family protein kinase 1.4298 1 1
Echinococcus granulosus serine:threonine protein kinase N2 0.4769 0.3057 0.4632
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.925 0.6323 1
Echinococcus multilocularis rac serine:threonine kinase 0.9631 0.66 1
Echinococcus granulosus Glutaredoxin protein 5 0.9148 0.6248 0.9466
Echinococcus multilocularis protein kinase c epsilon type 0.4769 0.3057 0.4632
Entamoeba histolytica PH domain containing protein kinase, putative 0.9631 0.66 0.5103
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.4769 0.3057 0.4632
Trichomonas vaginalis AGC family protein kinase 1.4298 1 1
Echinococcus multilocularis nervana 2 0.9148 0.6248 0.9466
Schistosoma mansoni serine/threonine protein kinase 0.4769 0.3057 0.4632
Echinococcus multilocularis serine:threonine protein kinase N2 0.4769 0.3057 0.4632
Trichomonas vaginalis AGC family protein kinase 0.515 0.3335 0.0502
Schistosoma mansoni serine/threonine protein kinase 0.4769 0.3057 0.4632
Trichomonas vaginalis AGC family protein kinase 0.4769 0.3057 0.0107
Entamoeba histolytica PH domain containing protein kinase, putative 0.9631 0.66 0.5103
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.925 0.6323 0.958
Echinococcus multilocularis nervana 2 0.9148 0.6248 0.9466
Schistosoma mansoni serine/threonine protein kinase 0.4769 0.3057 0.4632
Schistosoma mansoni atypical protein kinase C 0.4769 0.3057 0.4632
Echinococcus granulosus protein kinase c epsilon type 0.4769 0.3057 0.4632
Echinococcus multilocularis protein kinase c iota type 0.4769 0.3057 0.4632
Trypanosoma cruzi rac serine-threonine kinase, putative 0.925 0.6323 0.958
Entamoeba histolytica protein kinase, putative 1.4298 1 1
Echinococcus granulosus nervana 2 0.9148 0.6248 0.9466
Trypanosoma brucei rac serine-threonine kinase, putative 1.4298 1 1
Trichomonas vaginalis AGC family protein kinase 1.4298 1 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.4769 0.3057 0.3057
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.4769 0.3057 0.3057
Echinococcus granulosus NDR protein kinase 0.4769 0.3057 0.4632
Echinococcus granulosus serine threonine protein kinase nrc 0.925 0.6323 0.958
Echinococcus granulosus protein kinase c iota type 0.4769 0.3057 0.4632
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.4769 0.3057 0.3057
Schistosoma mansoni serine/threonine protein kinase 0.4769 0.3057 0.4632
Brugia malayi protein kinase C II. 0.4769 0.3057 0.3057
Leishmania major histone deacetylase, putative 0.0573 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

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

No literature references available for this target.

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