Detailed information for compound 1051794

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.536 | Formula: C29H27FN2O
  • H donors: 0 H acceptors: 1 LogP: 6.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)ccc(c2)CN1CCCN(CC1)C(=O)c1ccccc1c1ccccc1
  • InChi: 1S/C29H27FN2O/c30-26-14-13-24-19-22(11-12-25(24)20-26)21-31-15-6-16-32(18-17-31)29(33)28-10-5-4-9-27(28)23-7-2-1-3-8-23/h1-5,7-14,19-20H,6,15-18,21H2
  • InChiKey: RXVREQSWUAZTFH-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
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0044 0.0356 0.3062
Entamoeba histolytica protein kinase 2, putative 0.0085 0.0781 0.5959
Schistosoma mansoni protein kinase 0.0121 0.1152 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0044 0.0356 0.3062
Echinococcus multilocularis nervana 2 0.0084 0.0769 0.6667
Schistosoma mansoni protein phosphatase 1 inhibitor potentiated by protein kinase C 0.0028 0.0187 0.1595
Trichomonas vaginalis AGC family protein kinase 0.0137 0.131 1
Brugia malayi Protein kinase domain containing protein 0.0137 0.131 0.1804
Leishmania major telomerase reverse transcriptase, putative 0.0268 0.266 1
Brugia malayi hypothetical protein 0.0028 0.0187 0.0253
Giardia lamblia Telomerase catalytic subunit 0.0268 0.266 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0268 0.266 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0268 0.266 1
Brugia malayi Telomerase reverse transcriptase 0.0712 0.7242 1
Brugia malayi Hr1 repeat family protein 0.0044 0.0356 0.0485
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0356 0.3062
Trichomonas vaginalis AGC family protein kinase 0.0044 0.0356 0.2715
Plasmodium falciparum telomerase reverse transcriptase 0.0268 0.266 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0128 0.1224 0.9335
Plasmodium vivax telomerase reverse transcriptase, putative 0.0268 0.266 1
Trichomonas vaginalis AGC family protein kinase 0.0137 0.131 1
Trypanosoma cruzi Protein kinase B 0.0094 0.0868 0.3262
Toxoplasma gondii AGC kinase 0.0128 0.1224 0.46
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0044 0.0356 0.3062
Schistosoma mansoni protein kinase 0.0121 0.1152 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0044 0.0356 0.3062
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0356 0.3062
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0268 0.266 1
Echinococcus multilocularis rac serine:threonine kinase 0.0094 0.0868 0.7525
Loa Loa (eye worm) AGC/NDR protein kinase 0.0044 0.0356 0.269
Schistosoma mansoni serine/threonine kinase 0.0044 0.0356 0.3062
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0121 0.1152 1
Echinococcus granulosus protein kinase C gamma type 0.0044 0.0356 0.3062
Brugia malayi Protein kinase domain containing protein 0.0044 0.0356 0.0485
Echinococcus multilocularis nervana 2 0.0084 0.0769 0.6667
Trichomonas vaginalis AGC family protein kinase 0.0044 0.0356 0.2715
Trichomonas vaginalis AGC family protein kinase 0.0044 0.0356 0.2715
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0356 0.3062
Echinococcus multilocularis Glutaredoxin protein 5 0.0084 0.0769 0.6667
Trichomonas vaginalis AGC family protein kinase 0.0137 0.131 1
Echinococcus multilocularis protein kinase c epsilon type 0.0044 0.0356 0.3062
Echinococcus granulosus nervana 2 0.0084 0.0769 0.6667
Echinococcus granulosus protein kinase c iota type 0.0044 0.0356 0.3062
Echinococcus multilocularis protein kinase c iota type 0.0044 0.0356 0.3062
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0085 0.0781 0.2936
Trichomonas vaginalis AGC family protein kinase 0.0137 0.131 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0044 0.0356 0.3062
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0085 0.0781 0.6768
Entamoeba histolytica protein kinase, putative 0.0137 0.131 1
Trichomonas vaginalis AGC family protein kinase 0.0053 0.0443 0.3378
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0085 0.0781 0.6768
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0356 0.3062
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0356 0.3062
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0044 0.0356 0.3062
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0356 0.3062
Echinococcus granulosus PKC activated phosphatase 1 inhibitor 0.0028 0.0187 0.1595
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0044 0.0356 0.269
Brugia malayi Protein kinase domain containing protein 0.0044 0.0356 0.0485
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0043 0.0344 0.2627
Echinococcus multilocularis PKC activated phosphatase 1 inhibitor 0.0028 0.0187 0.1595
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0044 0.0356 0.3062
Echinococcus granulosus serine threonine protein kinase nrc 0.0085 0.0781 0.6768
Trichomonas vaginalis AGC family protein kinase 0.0137 0.131 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0044 0.0356 0.3062
Schistosoma mansoni atypical protein kinase C 0.0044 0.0356 0.3062
Loa Loa (eye worm) hypothetical protein 0.0028 0.0187 0.1401
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0094 0.0868 0.3262
Trypanosoma brucei rac serine-threonine kinase, putative 0.0137 0.131 0.4927
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0356 0.3062
Schistosoma mansoni serine/threonine-protein kinase 0.0094 0.0868 0.7525
Echinococcus granulosus nervana 2 0.0084 0.0769 0.6667
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0121 0.1152 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0044 0.0356 0.269
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0085 0.0781 0.2936
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0044 0.0356 0.269
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0044 0.0356 0.3062
Echinococcus multilocularis serine:threonine protein kinase N2 0.0044 0.0356 0.3062
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0084 0.0769 0.6667
Echinococcus granulosus protein kinase c epsilon type 0.0044 0.0356 0.3062
Brugia malayi protein kinase C II. 0.0044 0.0356 0.0485
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0044 0.0356 0.3062
Echinococcus granulosus NDR protein kinase 0.0044 0.0356 0.3062
Entamoeba histolytica protein kinase, putative 0.0137 0.131 1
Echinococcus granulosus serine/threonine protein kinase 0.0094 0.0868 0.7525
Entamoeba histolytica PH domain containing protein kinase, putative 0.0094 0.0868 0.6622
Entamoeba histolytica PH domain containing protein kinase, putative 0.0094 0.0868 0.6622
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0044 0.0356 0.269
Loa Loa (eye worm) AGC/PKN protein kinase 0.0044 0.0356 0.269
Trypanosoma brucei telomerase reverse transcriptase 0.0268 0.266 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0356 0.269
Schistosoma mansoni serine/threonine-protein kinase 0.0094 0.0868 0.7525
Echinococcus multilocularis serine threonine protein kinase 0.0044 0.0356 0.3062
Trichomonas vaginalis AGC family protein kinase 0.0137 0.131 1
Entamoeba histolytica protein kinase, putative 0.0128 0.1224 0.9337
Echinococcus granulosus serine:threonine protein kinase N2 0.0044 0.0356 0.3062
Brugia malayi p70 ribosomal S6 kinase beta 0.0128 0.1224 0.1684
Entamoeba histolytica protein kinase, putative 0.0044 0.0356 0.2715
Loa Loa (eye worm) AGC/AKT protein kinase 0.0137 0.131 1
Echinococcus granulosus Glutaredoxin protein 5 0.0084 0.0769 0.6667
Trichomonas vaginalis AGC family protein kinase 0.0137 0.131 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0084 0.0769 0.6667
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0085 0.0781 0.2936

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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