Detailed information for compound 1055499

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.36 | Formula: C19H18F3N3O2
  • H donors: 0 H acceptors: 2 LogP: 3.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(Cc1coc(n1)c1ccc(cc1)OC(F)(F)F)Cc1ccncc1
  • InChi: 1S/C19H18F3N3O2/c1-2-25(11-14-7-9-23-10-8-14)12-16-13-26-18(24-16)15-3-5-17(6-4-15)27-19(20,21)22/h3-10,13H,2,11-12H2,1H3
  • InChiKey: XWVFDXFBPAIHHG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0087 0.2715 0.2711
Schistosoma mansoni inositol monophosphatase 0.0037 0.0722 0.1083
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.2715 0.4095
Echinococcus multilocularis nervana 2 0.0167 0.5885 0.8886
Toxoplasma gondii exonuclease III APE 0.0019 0.0006 0.0006
Echinococcus granulosus nervana 2 0.0167 0.5885 0.8886
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0006 0.001
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0169 0.5959 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0255 0.9337 0.9337
Echinococcus multilocularis serine threonine protein kinase 0.0087 0.2715 0.4095
Brugia malayi Hr1 repeat family protein 0.0087 0.2715 0.2711
Brugia malayi protein kinase C II. 0.0087 0.2715 0.2711
Toxoplasma gondii AGC kinase 0.0255 0.9337 1
Trichomonas vaginalis AGC family protein kinase 0.0087 0.2715 0.2715
Echinococcus granulosus protein kinase C gamma type 0.0087 0.2715 0.4095
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0006 0.001
Echinococcus multilocularis serine:threonine protein kinase N2 0.0087 0.2715 0.4095
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0569 0.5
Echinococcus granulosus NDR protein kinase 0.0087 0.2715 0.4095
Schistosoma mansoni atypical protein kinase C 0.0087 0.2715 0.4095
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0087 0.2715 0.4095
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.2715 0.4095
Entamoeba histolytica protein kinase, putative 0.0271 1 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.0722 0.1083
Trichomonas vaginalis AGC family protein kinase 0.0087 0.2715 0.2715
Trichomonas vaginalis AGC family protein kinase 0.0271 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0186 0.6622 1
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0087 0.2715 0.4095
Entamoeba histolytica protein kinase, putative 0.0087 0.2715 0.2715
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0087 0.2715 0.4095
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0722 0.0722
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0167 0.5885 0.8886
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0722 1
Schistosoma mansoni serine/threonine kinase 0.0087 0.2715 0.4095
Trypanosoma brucei rac serine-threonine kinase, putative 0.0271 1 1
Brugia malayi Protein kinase domain containing protein 0.0087 0.2715 0.2711
Trichomonas vaginalis AGC family protein kinase 0.0104 0.3378 0.3378
Entamoeba histolytica protein kinase, putative 0.0255 0.9337 0.9337
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0087 0.2715 0.4095
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0722 1
Trypanosoma cruzi Protein kinase B 0.0186 0.6622 1
Brugia malayi Inositol-1 0.0037 0.0722 0.0717
Entamoeba histolytica protein kinase 2, putative 0.0169 0.5959 0.5959
Loa Loa (eye worm) AGC/PKN protein kinase 0.0087 0.2715 0.2711
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0722 0.0722
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0167 0.5885 0.8886
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0085 0.2641 0.2641
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0006 0.0006
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0569 1
Echinococcus multilocularis protein kinase c epsilon type 0.0087 0.2715 0.4095
Schistosoma mansoni serine/threonine-protein kinase 0.0186 0.6622 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0006 0.0009
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0087 0.2715 0.2711
Echinococcus multilocularis serine:threonine protein kinase N2 0.0087 0.2715 0.4095
Trichomonas vaginalis AGC family protein kinase 0.0271 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0722 0.109
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0087 0.2715 0.4095
Echinococcus multilocularis rac serine:threonine kinase 0.0186 0.6622 1
Loa Loa (eye worm) inositol-1 0.0037 0.0722 0.0717
Echinococcus multilocularis protein kinase c iota type 0.0087 0.2715 0.4095
Brugia malayi Protein kinase domain containing protein 0.0087 0.2715 0.2711
Loa Loa (eye worm) AGC/AKT protein kinase 0.0271 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0186 0.6622 1
Echinococcus granulosus serine/threonine protein kinase 0.0186 0.6622 1
Trichomonas vaginalis AGC family protein kinase 0.0271 1 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0169 0.5959 0.8998
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0087 0.2715 0.2711
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.2715 0.4095
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.2715 0.4095
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.2715 0.4095
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0722 0.0722
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0087 0.2715 0.4095
Echinococcus granulosus protein kinase c epsilon type 0.0087 0.2715 0.4095
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0087 0.2715 0.4095
Trichomonas vaginalis AGC family protein kinase 0.0271 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0722 0.109
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0169 0.5959 0.8998
Entamoeba histolytica PH domain containing protein kinase, putative 0.0186 0.6622 0.6622
Echinococcus granulosus serine:threonine protein kinase N2 0.0087 0.2715 0.4095
Trichomonas vaginalis AGC family protein kinase 0.0271 1 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0722 0.1083
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0169 0.5959 1
Trichomonas vaginalis AGC family protein kinase 0.0087 0.2715 0.2715
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0006 0.0006
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0006 0.0006
Echinococcus granulosus protein kinase c iota type 0.0087 0.2715 0.4095
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0169 0.5959 0.8999
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.2715 0.4095
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0169 0.5959 0.8998
Trichomonas vaginalis AGC family protein kinase 0.0271 1 1
Echinococcus granulosus nervana 2 0.0167 0.5885 0.8886
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0006 0.0009
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0006 0.008
Entamoeba histolytica PH domain containing protein kinase, putative 0.0186 0.6622 0.6622
Echinococcus multilocularis serine:threonine protein kinase 38 0.0087 0.2715 0.4095
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0722 0.0722
Loa Loa (eye worm) hypothetical protein 0.0087 0.2715 0.2711
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0087 0.2715 0.2711
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0722 0.1083
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0722 0.0722
Loa Loa (eye worm) AGC/NDR protein kinase 0.0087 0.2715 0.2711
Echinococcus multilocularis Glutaredoxin protein 5 0.0167 0.5885 0.8886
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0006 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0722 0.0773
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0006 0.0006
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0722 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0255 0.9337 0.9337
Trichomonas vaginalis AGC family protein kinase 0.0271 1 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0087 0.2715 0.4095
Giardia lamblia Kinase, AGC PKA 0.0169 0.5959 1
Echinococcus granulosus Glutaredoxin protein 5 0.0167 0.5885 0.8886
Entamoeba histolytica protein kinase, putative 0.0271 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.2715 0.4095
Echinococcus multilocularis nervana 2 0.0167 0.5885 0.8886

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 9 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.