Detailed information for compound 1751739

Basic information

Technical information
  • TDR Targets ID: 1751739
  • Name: 3-bromo-1-(2-cyclohexylethyl)pyridin-1-ium
  • MW: 269.201 | Formula: C13H19BrN+
  • H donors: 0 H acceptors: 0 LogP: 4.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc[n+](c1)CCC1CCCCC1
  • InChi: 1S/C13H19BrN/c14-13-7-4-9-15(11-13)10-8-12-5-2-1-3-6-12/h4,7,9,11-12H,1-3,5-6,8,10H2/q+1
  • InChiKey: QCEXRXPUHUYSAA-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
Loa Loa (eye worm) FKBP5 protein 0.0306 0.3022 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0306 0.3022 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0306 0.3022 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0306 0.3022 0.3857
Onchocerca volvulus 0.0042 0 0.5
Trichomonas vaginalis fk506-binding protein, putative 0.0306 0.3022 1
Schistosoma mansoni microtubule-associated protein tau 0.0727 0.7835 1
Trichomonas vaginalis immunophilin, putative 0.0306 0.3022 1
Schistosoma mansoni immunophilin 0.0306 0.3022 0.3857
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0042 0 0.5
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0652 0.6978 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0306 0.3022 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0306 0.3022 0.3857
Leishmania major peptidylprolyl isomerase-like protein 0.0306 0.3022 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0042 0 0.5
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0306 0.3022 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0306 0.3022 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0306 0.3022 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0042 0 0.5
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0306 0.3022 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0306 0.3022 0.3857
Schistosoma mansoni immunophilin 0.0306 0.3022 0.3857
Echinococcus multilocularis microtubule associated protein 2 0.0727 0.7835 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.2539 0.8404
Echinococcus granulosus microtubule associated protein 2 0.0727 0.7835 1
Echinococcus multilocularis fk506 binding protein 0.0306 0.3022 0.3857
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0264 0.2539 0.3241
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0306 0.3022 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.0957 0.3166
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0306 0.3022 1
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.0957 0.3166
Onchocerca volvulus 0.0042 0 0.5
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0306 0.3022 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0306 0.3022 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0306 0.3022 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0042 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0306 0.3022 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0264 0.2539 0.3241
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0306 0.3022 1
Brugia malayi MH2 domain containing protein 0.0126 0.0957 0.3166
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0306 0.3022 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0306 0.3022 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0306 0.3022 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0652 0.6978 1
Schistosoma mansoni immunophilin 0.0264 0.2539 0.3241
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0306 0.3022 0.3857
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0306 0.3022 1
Leishmania major fk506-binding protein 1-like protein 0.0306 0.3022 1

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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