Detailed information for compound 1803994

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.271 | Formula: C13H19BrN2O2S
  • H donors: 0 H acceptors: 2 LogP: 2.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C/C(=N/S(=O)(=O)c1ccc(cc1)C)/N(C)C)Br
  • InChi: 1S/C13H19BrN2O2S/c1-10-5-7-12(8-6-10)19(17,18)15-13(16(3)4)9-11(2)14/h5-8,11H,9H2,1-4H3/b15-13-
  • InChiKey: OQTKWIZZCBDOCC-SQFISAMPSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0218 0.1391 0.1391
Entamoeba histolytica protein kinase, putative 0.0337 0.3063 0.3063
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0226 0.15 0.15
Trichomonas vaginalis AGC family protein kinase 0.0337 0.3063 0.406
Echinococcus granulosus serine threonine protein kinase nrc 0.0226 0.15 0.15
Echinococcus multilocularis Glutaredoxin protein 5 0.0218 0.1391 0.1391
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0218 0.1391 0.1391
Trypanosoma cruzi aurora B kinase, putative 0.0657 0.7544 0.711
Entamoeba histolytica s phingosine-1-phosphate lyase 1, putative 0.0832 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0657 0.7544 0.7544
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0657 0.7544 1
Entamoeba histolytica protein kinase domain containing protein 0.0657 0.7544 0.7544
Schistosoma mansoni serine/threonine-protein kinase 0.0226 0.15 0.15
Echinococcus granulosus aurora kinase A 0.0657 0.7544 0.7544
Entamoeba histolytica PH domain containing protein kinase, putative 0.0226 0.15 0.15
Loa Loa (eye worm) AUR protein kinase 0.0657 0.7544 0.7544
Trichomonas vaginalis AGC family protein kinase 0.0657 0.7544 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0337 0.3063 0.3063
Entamoeba histolytica protein kinase, putative 0.0337 0.3063 0.3063
Entamoeba histolytica protein kinase, putative 0.0657 0.7544 0.7544
Trichomonas vaginalis AGC family protein kinase 0.0337 0.3063 0.406
Toxoplasma gondii aurora kinase 0.0657 0.7544 1
Trichomonas vaginalis AGC family protein kinase 0.0657 0.7544 1
Schistosoma mansoni serine/threonine-protein kinase 0.0226 0.15 0.15
Trichomonas vaginalis AGC family protein kinase 0.0337 0.3063 0.406
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0657 0.7544 0.7544
Loa Loa (eye worm) AGC/AKT protein kinase 0.0337 0.3063 0.3063
Trichomonas vaginalis AGC family protein kinase 0.0337 0.3063 0.406
Echinococcus multilocularis nervana 2 0.0218 0.1391 0.1391
Echinococcus granulosus Glutaredoxin protein 5 0.0218 0.1391 0.1391
Trichomonas vaginalis AGC family protein kinase 0.0657 0.7544 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0657 0.7544 0.7544
Trypanosoma brucei aurora B kinase 0.0657 0.7544 0.6459
Echinococcus granulosus nervana 2 0.0218 0.1391 0.1391
Brugia malayi serine/threonine kinase 12 0.0657 0.7544 0.7544
Brugia malayi Protein kinase domain containing protein 0.0337 0.3063 0.3063
Brugia malayi serine/threonine protein kinase 6 0.0657 0.7544 0.7544
Loa Loa (eye worm) AUR protein kinase 0.0657 0.7544 0.7544
Trypanosoma cruzi sphingosine 1-phosphate lyase, putative 0.0832 1 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0226 0.15 0.15
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0657 0.7544 0.7544
Echinococcus multilocularis rac serine:threonine kinase 0.0226 0.15 0.15
Echinococcus multilocularis aurora kinase A 0.0657 0.7544 0.7544
Entamoeba histolytica protein kinase, putative 0.0337 0.3063 0.3063
Trichomonas vaginalis AGC family protein kinase 0.0657 0.7544 1
Trichomonas vaginalis AGC family protein kinase 0.0337 0.3063 0.406
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0337 0.3063 0.3063
Entamoeba histolytica protein kinase 2, putative 0.0226 0.15 0.15
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0657 0.7544 0.7544
Trichomonas vaginalis AGC family protein kinase 0.0337 0.3063 0.406
Echinococcus granulosus nervana 2 0.0218 0.1391 0.1391
Giardia lamblia Aurora kinase 0.0657 0.7544 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0657 0.7544 1
Echinococcus granulosus serine/threonine protein kinase 0.0226 0.15 0.15
Trichomonas vaginalis AGC family protein kinase 0.0337 0.3063 0.406
Brugia malayi serine/threonine-protein kinase 6 0.0657 0.7544 0.7544
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0657 0.7544 0.7544
Trypanosoma cruzi sphingosine 1-phosphate lyase, putative 0.0832 1 1
Loa Loa (eye worm) hypothetical protein 0.0832 1 1
Trypanosoma brucei sphingosine 1-phosphate lyase, putative 0.0832 1 1
Schistosoma mansoni sphingosine phosphate lyase 0.0832 1 1
Echinococcus multilocularis sphingosine 1 phosphate lyase 1 0.0832 1 1
Leishmania major sphingosine 1-phosphate lyase 0.0832 1 1
Loa Loa (eye worm) AUR protein kinase 0.0657 0.7544 0.7544
Echinococcus granulosus sphingosine 1 phosphate lyase 1 0.0832 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0226 0.15 0.15
Entamoeba histolytica protein kinase , putative 0.0657 0.7544 0.7544
Schistosoma mansoni protein kinase 0.0657 0.7544 0.7544
Echinococcus multilocularis nervana 2 0.0218 0.1391 0.1391
Entamoeba histolytica protein kinase, putative 0.0657 0.7544 0.7544

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.
 
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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