Detailed information for compound 1759849

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 519.354 | Formula: C25H22BrF3N2O2
  • H donors: 0 H acceptors: 1 LogP: 7.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(ccc1OC)c1nc2n(c1Cc1ccccc1C(F)(F)F)c(C)c(c(c2)C)Br
  • InChi: 1S/C25H22BrF3N2O2/c1-14-11-22-30-24(17-9-10-20(32-3)21(13-17)33-4)19(31(22)15(2)23(14)26)12-16-7-5-6-8-18(16)25(27,28)29/h5-11,13H,12H2,1-4H3
  • InChiKey: VOPQGWLJEKLWJN-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
Trichomonas vaginalis AGC family protein kinase 1.1008 1 1
Trichomonas vaginalis AGC family protein kinase 1.1008 1 1
Loa Loa (eye worm) hypothetical protein 0.0954 0.0025 0.0025
Echinococcus granulosus nervana 2 0.7037 0.606 0.8984
Entamoeba histolytica protein kinase 2, putative 0.7116 0.6139 0.4697
Echinococcus multilocularis rac serine:threonine kinase 0.7418 0.6439 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.3669 0.2719 0.2719
Trypanosoma cruzi Protein kinase B 0.7418 0.6439 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 1.0706 0.97 0.97
Echinococcus multilocularis nervana 2 0.7037 0.606 0.8984
Trypanosoma brucei rac serine-threonine kinase, putative 1.1008 1 0.5
Toxoplasma gondii AGC kinase 1.0706 0.97 0.5
Echinococcus granulosus serine threonine protein kinase nrc 0.7116 0.6139 0.9195
Loa Loa (eye worm) hypothetical protein 0.3669 0.2719 0.2719
Loa Loa (eye worm) AGC/PKN protein kinase 0.3669 0.2719 0.2719
Trichomonas vaginalis AGC family protein kinase 1.1008 1 1
Giardia lamblia Kinase, AGC PKA 0.7116 0.6139 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.3669 0.2719 0.2719
Echinococcus multilocularis Glutaredoxin protein 5 0.7037 0.606 0.8984
Echinococcus granulosus Glutaredoxin protein 5 0.7037 0.606 0.8984
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.7116 0.6139 0.9195
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.7116 0.6139 0.9195
Schistosoma mansoni serine/threonine-protein kinase 0.7418 0.6439 1
Entamoeba histolytica protein kinase, putative 1.1008 1 1
Entamoeba histolytica protein kinase, putative 1.0706 0.97 0.9589
Trichomonas vaginalis AGC family protein kinase 1.1008 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.7418 0.6439 1
Entamoeba histolytica protein kinase, putative 1.1008 1 1
Trichomonas vaginalis AGC family protein kinase 0.3971 0.3018 0.0514
Brugia malayi Protein kinase domain containing protein 0.3669 0.2719 0.27
Trichomonas vaginalis AGC family protein kinase 1.1008 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.7037 0.606 0.8984
Entamoeba histolytica PH domain containing protein kinase, putative 0.7418 0.6439 0.5109
Trichomonas vaginalis AGC family protein kinase 0.3669 0.2719 0.0107
Loa Loa (eye worm) AGC/AKT protein kinase 1.1008 1 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.3669 0.2719 0.2719
Trichomonas vaginalis AGC family protein kinase 0.3669 0.2719 0.0107
Brugia malayi protein kinase C II. 0.3669 0.2719 0.27
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.7037 0.606 0.8984
Trichomonas vaginalis AGC family protein kinase 0.3669 0.2719 0.0107
Brugia malayi Hr1 repeat family protein 0.3669 0.2719 0.27
Entamoeba histolytica PH domain containing protein kinase, putative 0.7418 0.6439 0.5109
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.7116 0.6139 0.5
Trypanosoma cruzi rac serine-threonine kinase, putative 0.7418 0.6439 1
Echinococcus granulosus serine/threonine protein kinase 0.7418 0.6439 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.3669 0.2719 0.2719
Brugia malayi Protein kinase domain containing protein 0.3669 0.2719 0.27
Echinococcus granulosus nervana 2 0.7037 0.606 0.8984
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.3669 0.2719 0.2719
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.7116 0.6139 0.5
Trichomonas vaginalis AGC family protein kinase 1.1008 1 1
Brugia malayi p70 ribosomal S6 kinase beta 1.0706 0.97 0.97
Echinococcus multilocularis nervana 2 0.7037 0.606 0.8984
Trichomonas vaginalis AGC family protein kinase 1.1008 1 1

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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