Detailed information for compound 825679

Basic information

Technical information
  • TDR Targets ID: 825679
  • Name: N-butyl-2-(3-oxo-1,2-benzothiazol-2-yl)propan amide
  • MW: 278.37 | Formula: C14H18N2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=O)C(n1sc2c(c1=O)cccc2)C
  • InChi: 1S/C14H18N2O2S/c1-3-4-9-15-13(17)10(2)16-14(18)11-7-5-6-8-12(11)19-16/h5-8,10H,3-4,9H2,1-2H3,(H,15,17)
  • InChiKey: GZSNBOFTNTWANT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-2-(3-keto-1,2-benzothiazol-2-yl)propionamide

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
Trypanosoma cruzi Protein kinase B 0.0162 0.2532 1
Trichomonas vaginalis AGC family protein kinase 0.0208 0.354 0.583
Brugia malayi p70 ribosomal S6 kinase beta 0.0321 0.5982 0.923
Entamoeba histolytica protein kinase, putative 0.0321 0.5982 0.9752
Schistosoma mansoni serine/threonine protein kinase 0.0167 0.2646 0.0153
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0325 0.6072 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0167 0.2646 0.2453
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Echinococcus multilocularis protein kinase c iota type 0.0167 0.2646 0.037
Entamoeba histolytica protein kinase, putative 0.0167 0.2646 0.0562
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0157 0.2442 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0506 1 1
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Brugia malayi Protein kinase domain containing protein 0.0208 0.354 0.5294
Entamoeba histolytica protein kinase, putative 0.0325 0.6072 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0167 0.2646 0.037
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0208 0.354 0.3371
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0167 0.2646 0.2453
Trichomonas vaginalis AGC family protein kinase 0.0325 0.6072 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.2646 0.2453
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Schistosoma mansoni serine/threonine protein kinase 0.0167 0.2646 0.0153
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Schistosoma mansoni serine/threonine protein kinase 0.0167 0.2646 0.0153
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0321 0.5982 0.5877
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Toxoplasma gondii AGC kinase 0.0321 0.5982 0.5
Brugia malayi Protein kinase domain containing protein 0.0167 0.2646 0.3853
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0167 0.2646 0.2453
Schistosoma mansoni serine/threonine protein kinase 0.0167 0.2646 0.0153
Brugia malayi protein kinase C II. 0.0167 0.2646 0.3853
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0049 0.009 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0325 0.6072 1
Trichomonas vaginalis AGC family protein kinase 0.0325 0.6072 1
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Echinococcus multilocularis serine:threonine protein kinase N2 0.0167 0.2646 0.037
Trichomonas vaginalis AGC family protein kinase 0.0167 0.2646 0.4358
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0506 1 1
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Schistosoma mansoni serine/threonine kinase 0.0167 0.2646 0.0153
Schistosoma mansoni serine/threonine protein kinase 0.0506 1 1
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0343 0.646 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0167 0.2646 0.037
Entamoeba histolytica protein kinase, putative 0.0325 0.6072 1
Echinococcus multilocularis serine threonine protein kinase 0.0167 0.2646 0.037
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0167 0.2646 0.037
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Schistosoma mansoni serine/threonine protein kinase 0.0167 0.2646 0.0153
Echinococcus granulosus serine:threonine protein kinase N2 0.0167 0.2646 0.037
Schistosoma mansoni atypical protein kinase C 0.0167 0.2646 0.0153
Echinococcus granulosus NDR protein kinase 0.0167 0.2646 0.037
Loa Loa (eye worm) AGC/AKT protein kinase 0.0325 0.6072 0.5969
Trichomonas vaginalis AGC family protein kinase 0.0208 0.354 0.583
Schistosoma mansoni serine/threonine protein kinase 0.0167 0.2646 0.0153
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0204 0.3462 0.5701
Entamoeba histolytica PH domain containing protein kinase, putative 0.0162 0.2532 0.0248
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Echinococcus granulosus protein kinase C gamma type 0.0167 0.2646 0.037
Loa Loa (eye worm) AGC/NDR protein kinase 0.0167 0.2646 0.2453
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0049 0.009 0.0149
Giardia lamblia Kinase, AGC AKT 0.0343 0.646 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0157 0.2442 0.5
Echinococcus multilocularis rac serine:threonine kinase 0.0162 0.2532 0.022
Echinococcus granulosus protein kinase c epsilon type 0.0167 0.2646 0.037
Trypanosoma brucei rac serine-threonine kinase, putative 0.0325 0.6072 0.5
Trichomonas vaginalis AGC family protein kinase 0.0325 0.6072 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0167 0.2646 0.037
Entamoeba histolytica PH domain containing protein kinase, putative 0.0162 0.2532 0.0248
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0167 0.2646 0.037
Brugia malayi Hr1 repeat family protein 0.0167 0.2646 0.3853
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0162 0.2532 1
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0167 0.2646 0.037
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0167 0.2646 0.037
Echinococcus granulosus serine/threonine protein kinase 0.0162 0.2532 0.022
Trichomonas vaginalis AGC family protein kinase 0.0325 0.6072 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0157 0.2442 0.0102
Echinococcus multilocularis serine:threonine protein kinase 38 0.0167 0.2646 0.037
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Trichomonas vaginalis AGC family protein kinase 0.0212 0.363 0.5978
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Echinococcus multilocularis protein kinase c epsilon type 0.0167 0.2646 0.037
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0157 0.2442 0.0102
Trichomonas vaginalis AGC family protein kinase 0.0325 0.6072 1
Echinococcus granulosus protein kinase c iota type 0.0167 0.2646 0.037
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Brugia malayi Protein kinase domain containing protein 0.0325 0.6072 0.9376
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0347 0.655 0.5
Trichomonas vaginalis AGC family protein kinase 0.0049 0.009 0.0149
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0157 0.2442 0.0102

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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