Detailed information for compound 936219

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.69 | Formula: C14H11ClF3NO3
  • H donors: 2 H acceptors: 2 LogP: 3.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC#CC1(OC(=O)Nc2c1cc(Cl)cc2)C(F)(F)F)O
  • InChi: 1S/C14H11ClF3NO3/c1-8(20)3-2-6-13(14(16,17)18)10-7-9(15)4-5-11(10)19-12(21)22-13/h4-5,7-8,20H,3H2,1H3,(H,19,21)
  • InChiKey: BEIGSKZKRNOYJY-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
Schistosoma mansoni lipoxygenase 0.0232 0.1214 0.1214
Toxoplasma gondii MAPEG family protein 0.1782 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.0122 0.0122
Brugia malayi hypothetical protein 0.0039 0.0122 0.19
Brugia malayi Doublecortin family protein 0.0039 0.0122 0.19
Onchocerca volvulus 0.0039 0.0122 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.021 0.3287
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.064 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0039 0.0122 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0 0.5
Brugia malayi hypothetical protein 0.0039 0.0122 0.19
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.021 0.3287
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0232 0.1214 0.1214
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.0122 0.0122
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0 0.5
Schistosoma mansoni rab6-interacting 0.0039 0.0122 0.0122
Plasmodium falciparum LCCL domain-containing protein 0.0039 0.0122 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.0122 0.0122
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.064 1
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.1782 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.021 0.3287
Schistosoma mansoni microsomal glutathione s-transferase 0.1782 1 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0039 0.0122 0.0122
Loa Loa (eye worm) doublecortin family protein 0.0039 0.0122 0.19
Echinococcus granulosus Polycystic kidney disease protein 0.0039 0.0122 0.0122
Schistosoma mansoni rab6-interacting 0.0039 0.0122 0.0122
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0232 0.1214 0.1214
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0113 0.1765
Brugia malayi MH2 domain containing protein 0.013 0.064 1
Schistosoma mansoni hypothetical protein 0.0037 0.0113 0.0113
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0 0.5
Echinococcus granulosus RUN 0.0039 0.0122 0.0122
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0 0.5
Schistosoma mansoni loxhd1 0.0039 0.0122 0.0122
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0 0.5
Echinococcus multilocularis RUN 0.0039 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0039 0.0122 0.19
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0 0.5
Onchocerca volvulus 0.0039 0.0122 0.5
Schistosoma mansoni polycystin 1-related 0.0039 0.0122 0.0122
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.0122 0.0122
Schistosoma mansoni lipoxygenase 0.0162 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0039 0.0122 0.19
Loa Loa (eye worm) hypothetical protein 0.0037 0.0113 0.1765
Echinococcus multilocularis microsomal glutathione S transferase 3 0.1782 1 1
Schistosoma mansoni hypothetical protein 0.0039 0.0122 0.0122
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.021 0.3287

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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