Detailed information for compound 439199

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.261 | Formula: C14H13F3N2O
  • H donors: 2 H acceptors: 2 LogP: 2.76 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc2c(cc1C(F)(F)F)[nH]c(c2C)C(O)(C)C
  • InChi: 1S/C14H13F3N2O/c1-7-9-4-8(6-18)10(14(15,16)17)5-11(9)19-12(7)13(2,3)20/h4-5,19-20H,1-3H3
  • InChiKey: JUOHNYIJPQMPEB-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
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0288 0.0625
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0053 0.1174 0.1174
Echinococcus granulosus caspase 2 0.0054 0.1188 0.2234
Onchocerca volvulus 0.0054 0.1188 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0 0.5
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0053 0.1174 0.8005
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0835 0.0835
Echinococcus granulosus muscleblind protein 0.0153 0.461 0.8668
Schistosoma mansoni pyruvate dehydrogenase 0.0144 0.43 0.8084
Echinococcus multilocularis lamin 0.0028 0.0288 0.0542
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Echinococcus granulosus apoptotic protease activating factor 1 0.0054 0.1189 0.2235
Echinococcus multilocularis apoptotic protease activating factor 1 0.0054 0.1189 0.2235
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0053 0.1174 0.1174
Loa Loa (eye worm) hypothetical protein 0.0054 0.1188 0.2578
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0054 0.1188 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0152 0.4592 0.4592
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0152 0.4592 0.4592
Schistosoma mansoni caspase-7 (C14 family) 0.0054 0.1188 0.2234
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0288 0.0625
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Leishmania major developmentally regulated phosphoprotein-like protein 0.0152 0.4592 0.4592
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0053 0.1174 0.1174
Echinococcus granulosus geminin 0.0173 0.5319 1
Echinococcus multilocularis muscleblind protein 0.0153 0.461 0.8668
Loa Loa (eye worm) hypothetical protein 0.0054 0.1188 0.2578
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0152 0.4592 0.8634
Echinococcus granulosus intermediate filament protein 0.0028 0.0288 0.0542
Brugia malayi hypothetical protein 0.0054 0.1188 0.2578
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0309 1 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0152 0.4592 0.8634
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0835 0.0835
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Brugia malayi intermediate filament protein 0.0028 0.0288 0.0625
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.1163 0.1163
Loa Loa (eye worm) hypothetical protein 0.0153 0.461 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.4383 0.4383
Echinococcus multilocularis geminin 0.0173 0.5319 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.4383 0.4383
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0288 0.0625
Loa Loa (eye worm) hypothetical protein 0.0153 0.461 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0062 0.1466 1
Schistosoma mansoni pyruvate dehydrogenase 0.0152 0.4592 0.8634
Schistosoma mansoni hypothetical protein 0.0173 0.5319 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0271 0.0587
Echinococcus multilocularis musashi 0.0028 0.0288 0.0542
Toxoplasma gondii hypothetical protein 0.005 0.1056 0.7203
Mycobacterium ulcerans hypothetical protein 0.0163 0.4953 1
Schistosoma mansoni lamin 0.0028 0.0288 0.0542
Echinococcus multilocularis caspase 2 0.0054 0.1188 0.2234
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.4383 0.4383
Brugia malayi Cell death protein 3 precursor 0.0054 0.1188 0.2578
Echinococcus granulosus lamin dm0 0.0028 0.0288 0.0542
Brugia malayi Muscleblind-like protein 0.0153 0.461 1
Echinococcus granulosus lamin 0.0028 0.0288 0.0542
Schistosoma mansoni pyruvate dehydrogenase 0.0144 0.43 0.8084
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0835 0.0835
Echinococcus multilocularis lamin dm0 0.0028 0.0288 0.0542
Loa Loa (eye worm) hypothetical protein 0.0028 0.0288 0.0625
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Echinococcus multilocularis muscleblind protein 1 0.0153 0.461 0.8668
Schistosoma mansoni hypothetical protein 0.0054 0.1189 0.2235
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0309 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0835 0.0835
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.4953 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0309 1 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0152 0.4592 0.8634
Schistosoma mansoni lamin 0.0028 0.0288 0.0542
Loa Loa (eye worm) hypothetical protein 0.0152 0.4592 0.9961
Schistosoma mansoni intermediate filament proteins 0.0028 0.0288 0.0542
Brugia malayi kinase, mitochondrial precursor 0.0152 0.4592 0.9961
Schistosoma mansoni hypothetical protein 0.0173 0.5319 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 55 % Reduction of testosterone-induced prostate weight increase in Sprague-Dawley rat by modified Hersherberger assay relative to control ChEMBL. 17071085

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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