Detailed information for compound 1563086

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 268.234 | Formula: C13H11F3N2O
  • H donors: 1 H acceptors: 2 LogP: 3.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ON(c1ccccn1)Cc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C13H11F3N2O/c14-13(15,16)11-6-4-10(5-7-11)9-18(19)12-3-1-2-8-17-12/h1-8,19H,9H2
  • InChiKey: TXGLJHABYDSVGU-UHFFFAOYSA-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
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1297 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.1297 0.6033
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.1297 0.6033
Echinococcus granulosus intermediate filament protein 0.0028 0.0495 0.0542
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0495 0.0495
Echinococcus granulosus lamin 0.0028 0.0495 0.0542
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0172 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0495 0.0495
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.1297 0.1297
Schistosoma mansoni lamin 0.0028 0.0495 0.0542
Echinococcus multilocularis beta galactosidase 0.0092 0.2932 0.4639
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.1297 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.2037 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0172 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.1297 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.2037 0.2037
Schistosoma mansoni hypothetical protein 0.0176 0.6122 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.1297 0.6033
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.2037 1
Trypanosoma brucei protein kinase, putative 0.0049 0.1297 0.6033
Echinococcus granulosus geminin 0.0176 0.6122 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.2037 1
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1297 0.189
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0495 0.2428
Brugia malayi intermediate filament protein 0.0028 0.0495 0.2428
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.1297 0.189
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.2037 0.3134
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.1297 0.189
Plasmodium vivax hypothetical protein, conserved 0.0028 0.05 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0172 0.0846
Echinococcus multilocularis lamin dm0 0.0028 0.0495 0.0542
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.2037 1
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.1297 0.189
Schistosoma mansoni intermediate filament proteins 0.0028 0.0495 0.0542
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0172 0.5
Onchocerca volvulus 0.0028 0.0495 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.1297 0.6033
Brugia malayi MAP kinase sur-1 0.0049 0.1297 0.6368
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.2037 1
Schistosoma mansoni beta-galactosidase 0.0092 0.2932 0.4639
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0172 0.5
Echinococcus granulosus transcription factor Dp 1 0.004 0.0939 0.1288
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.1297 0.6033
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1297 1
Echinococcus multilocularis musashi 0.0028 0.0495 0.0542
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0028 0.05 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.2037 0.3134
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.2037 0.3134
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1297 1
Echinococcus granulosus lamin dm0 0.0028 0.0495 0.0542
Loa Loa (eye worm) hypothetical protein 0.0092 0.2932 0.2932
Loa Loa (eye worm) hypothetical protein 0.0028 0.0475 0.0475
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.1297 0.6033
Schistosoma mansoni hypothetical protein 0.0176 0.6122 1
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0939 0.1288
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.1297 0.189
Echinococcus multilocularis geminin 0.0176 0.6122 1
Onchocerca volvulus 0.0028 0.0495 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0172 0.0172
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.1297 0.6033
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.2037 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1297 1
Echinococcus granulosus beta galactosidase 0.0092 0.2932 0.4639
Schistosoma mansoni lamin 0.0028 0.0495 0.0542
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0495 0.0495
Echinococcus multilocularis lamin 0.0028 0.0495 0.0542

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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