Detailed information for compound 870054

Basic information

Technical information
  • TDR Targets ID: 870054
  • Name: 2-(4-fluorophenyl)-1,3-dimethylbenzimidazol-1 -ium
  • MW: 241.283 | Formula: C15H14FN2+
  • H donors: 0 H acceptors: 0 LogP: 3.33 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1n(C)c2c([n+]1C)cccc2
  • InChi: 1S/C15H14FN2/c1-17-13-5-3-4-6-14(13)18(2)15(17)11-7-9-12(16)10-8-11/h3-10H,1-2H3/q+1
  • InChiKey: XPMYMRDFXSYSLB-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-fluorophenyl)-1,3-dimethyl-benzimidazol-1-ium
  • ZINC00041836
  • STOCK1S-63033

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 nuclear hormone receptor nor-1/nor-2 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.354 0.354
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.354 0.354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.354 0.354
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.354 0.354
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.354 0.354
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 1 0.5
Onchocerca volvulus 0.0011 0.354 0.5
Brugia malayi steroid hormone receptor 0.0011 0.354 0.354
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.354 0.354
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.354 0.354
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.354 0.354
Loa Loa (eye worm) hypothetical protein 0.0011 0.354 0.354
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.354 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.354 0.354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.354 0.354
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.354 0.354
Schistosoma mansoni ap endonuclease 0.0021 1 1
Schistosoma mansoni ap endonuclease 0.0021 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.354 0.354
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.354 0.354
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.354 0.354
Echinococcus granulosus FTZ F1 alpha 0.0011 0.354 0.354
Brugia malayi nuclear hormone receptor 0.0011 0.354 0.354
Loa Loa (eye worm) hypothetical protein 0.0011 0.354 0.354
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.354 0.354
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.354 0.354
Brugia malayi nuclear receptor NHR-88 0.0011 0.354 0.354
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.354 0.354
Toxoplasma gondii exonuclease III APE 0.0021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.354 0.354
Schistosoma mansoni thyroid hormone receptor 0.0011 0.354 0.354
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.354 0.354
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.354 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.354 0.354
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.354 0.354
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.354 0.354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.354 0.354
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.354 0.354
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.354 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 1 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0021 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.354 0.354
Schistosoma mansoni coup transcription factor 0.0011 0.354 0.354
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.354 0.354
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.354 0.354
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 1 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.354 0.354
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.354 0.354
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.354 0.354
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.354 0.354
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.354 0.354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.354 0.354
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 1 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 1 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.354 0.354
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.354 0.354
Loa Loa (eye worm) hypothetical protein 0.0011 0.354 0.354
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.354 0.354
Schistosoma mansoni thyroid hormone receptor 0.0011 0.354 0.354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.354 0.354
Schistosoma mansoni nuclear hormone receptor 0.0011 0.354 0.354
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.354 0.354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.354 0.354
Loa Loa (eye worm) hypothetical protein 0.0011 0.354 0.354
Trichomonas vaginalis ap endonuclease, putative 0.0021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.354 0.354
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.354 0.354
Loa Loa (eye worm) hypothetical protein 0.0011 0.354 0.354
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 1 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.354 0.354
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.354 0.354
Brugia malayi ecdysteroid receptor 0.0011 0.354 0.354
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.354 0.354
Loa Loa (eye worm) hypothetical protein 0.0011 0.354 0.354
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 1 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.88 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) = 3.79 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 95.8 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 135.8 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

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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