Detailed information for compound 616535

Basic information

Technical information
  • TDR Targets ID: 616535
  • Name: 3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)-5, 6,7,8-tetrahydro-2H-imidazo[3,2-a]pyridin-4-i um-3-ol
  • MW: 397.487 | Formula: C23H29N2O4+
  • H donors: 1 H acceptors: 1 LogP: 2.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)[N+]1=C2CCCCN2C(C1)(O)c1ccc(c(c1)OC)OC
  • InChi: 1S/C23H29N2O4/c1-4-29-19-11-9-18(10-12-19)24-16-23(26,25-14-6-5-7-22(24)25)17-8-13-20(27-2)21(15-17)28-3/h8-13,15,26H,4-7,14,16H2,1-3H3/q+1
  • InChiKey: QCAGFHHZFSOCBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ChemDiv1_026825

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
Onchocerca volvulus Bile acid receptor homolog 0.007 0.4399 1
Plasmodium vivax heat shock protein 86, putative 0.0096 0.833 1
Onchocerca volvulus 0.007 0.4399 1
Trypanosoma cruzi heat shock protein 90, putative 0.0096 0.833 0.833
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Schistosoma mansoni steroid hormone receptor ad4bp 0.007 0.4399 0.4399
Entamoeba histolytica heat shock protein 90, putative 0.0096 0.833 0.833
Trypanosoma brucei heat shock protein, putative 0.0096 0.833 0.833
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0077 0.5456 0.5456
Brugia malayi Nuclear hormone receptor family member nhr-14 0.007 0.4399 0.4399
Echinococcus multilocularis ecdysone induced protein 78C 0.007 0.4399 0.4399
Trichomonas vaginalis heat shock protein, putative 0.0077 0.5456 0.5456
Brugia malayi Nuclear hormone receptor family member nhr-41 0.007 0.4399 0.4399
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Schistosoma mansoni retinoid-x-receptor (RXR) 0.007 0.4399 0.4399
Schistosoma mansoni endoplasmin 0.0096 0.833 0.833
Loa Loa (eye worm) steroid hormone receptor 0.007 0.4399 0.4399
Trichomonas vaginalis phosphofructokinase, putative 0.0108 1 1
Schistosoma mansoni endoplasmin 0.0096 0.833 0.833
Loa Loa (eye worm) hypothetical protein 0.007 0.4399 0.4399
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.007 0.4399 0.4399
Schistosoma mansoni thyroid hormone receptor 0.007 0.4399 0.4399
Trichomonas vaginalis heat shock protein, putative 0.0096 0.833 0.833
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Toxoplasma gondii heat shock protein 90, putative 0.0096 0.833 1
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.007 0.4399 0.4399
Trichomonas vaginalis phosphofructokinase, putative 0.0108 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0108 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.007 0.4399 0.4399
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Plasmodium falciparum heat shock protein 90 0.0096 0.833 1
Echinococcus granulosus 6 phosphofructokinase 0.0108 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.007 0.4399 0.4399
Brugia malayi Nuclear hormone receptor family member nhr-25 0.007 0.4399 0.4399
Trypanosoma brucei heat shock protein, putative 0.0096 0.833 0.833
Trichomonas vaginalis endoplasmin, putative 0.0059 0.2874 0.2874
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Trypanosoma brucei heat shock protein, putative 0.0096 0.833 0.833
Brugia malayi Nuclear hormone receptor family member nhr-1 0.007 0.4399 0.4399
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.007 0.4399 1
Schistosoma mansoni 6-phosphofructokinase 0.0108 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.007 0.4399 0.4399
Trypanosoma brucei heat shock protein, putative 0.0096 0.833 0.833
Echinococcus granulosus ecdysone induced protein 78C 0.007 0.4399 0.4399
Trypanosoma cruzi Heat shock protein 83, putative 0.0096 0.833 0.833
Brugia malayi Endoplasmin precursor 0.0096 0.833 0.833
Mycobacterium ulcerans 6-phosphofructokinase 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.4399 0.4399
Echinococcus granulosus FTZ F1 alpha 0.007 0.4399 0.4399
Trypanosoma cruzi heat shock protein 90, putative 0.0057 0.2547 0.2547
Trypanosoma brucei heat shock protein, putative 0.0096 0.833 0.833
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.007 0.4399 0.4399
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0108 1 1
Brugia malayi Steroid receptor seven-up type 2 0.007 0.4399 0.4399
Echinococcus granulosus heat shock protein 90 0.0077 0.5456 0.5456
Trypanosoma cruzi heat shock protein 85, putative 0.0077 0.5456 0.5456
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Echinococcus multilocularis heat shock protein 0.0096 0.833 0.833
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.007 0.4399 0.4399
Trypanosoma cruzi heat shock protein 85, putative 0.0096 0.833 0.833
Schistosoma mansoni heat shock protein 0.0096 0.833 0.833
Echinococcus multilocularis heat shock protein 90 0.0096 0.833 0.833
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Schistosoma mansoni nuclear hormone receptor 0.007 0.4399 0.4399
Echinococcus multilocularis endoplasmin 0.0077 0.5456 0.5456
Brugia malayi Nuclear hormone receptor family member nhr-19 0.007 0.4399 0.4399
Leishmania major ATP-dependent phosphofructokinase 0.0108 1 1
Loa Loa (eye worm) endoplasmin 0.0096 0.833 0.833
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Schistosoma mansoni thyroid hormone receptor 0.007 0.4399 0.4399
Echinococcus multilocularis heat shock protein 90 0.0077 0.5456 0.5456
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0108 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.007 0.4399 0.4399
Trypanosoma brucei heat shock protein, putative 0.0096 0.833 0.833
Loa Loa (eye worm) heat shock protein 90 0.0096 0.833 0.833
Brugia malayi nuclear hormone receptor 0.007 0.4399 0.4399
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.007 0.4399 0.4399
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.007 0.4399 0.4399
Brugia malayi Nuclear hormone receptor family member nhr-25 0.007 0.4399 0.4399
Echinococcus granulosus heat shock protein 0.0096 0.833 0.833
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.007 0.4399 0.4399
Brugia malayi steroid hormone receptor 0.007 0.4399 0.4399
Loa Loa (eye worm) hypothetical protein 0.007 0.4399 0.4399
Trypanosoma brucei Heat shock protein 83, putative 0.0096 0.833 0.833
Trichomonas vaginalis heat shock protein, putative 0.0077 0.5456 0.5456
Brugia malayi 6-phosphofructokinase 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.4399 0.4399
Brugia malayi nuclear receptor NHR-88 0.007 0.4399 0.4399
Trypanosoma brucei heat shock protein, putative 0.0096 0.833 0.833
Entamoeba histolytica phosphofructokinase, putative 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.4399 0.4399
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.007 0.4399 0.4399
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.007 0.4399 0.4399
Toxoplasma gondii heat shock protein HSP90 0.0096 0.833 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.007 0.4399 0.4399
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Trypanosoma brucei heat shock protein 90, putative 0.0096 0.833 0.833
Trichomonas vaginalis heat shock protein, putative 0.0077 0.5456 0.5456
Brugia malayi Nuclear hormone receptor family member nhr-40 0.007 0.4399 0.4399
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Loa Loa (eye worm) hypothetical protein 0.007 0.4399 0.4399
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.007 0.4399 0.4399
Echinococcus granulosus endoplasmin 0.0077 0.5456 0.5456
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.007 0.4399 0.4399
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Brugia malayi heat shock protein 90 0.0096 0.833 0.833
Brugia malayi Nuclear hormone receptor-like 1 0.007 0.4399 0.4399
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.007 0.4399 0.4399
Brugia malayi 6-phosphofructokinase 0.0108 1 1
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0108 1 1
Plasmodium vivax endoplasmin, putative 0.0096 0.833 1
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Loa Loa (eye worm) hypothetical protein 0.007 0.4399 0.4399
Echinococcus multilocularis thyroid hormone receptor alpha 0.007 0.4399 0.4399
Trypanosoma brucei heat shock protein, putative 0.0096 0.833 0.833
Trypanosoma brucei heat shock protein 90, putative 0.0096 0.833 0.833
Brugia malayi ecdysteroid receptor 0.007 0.4399 0.4399
Brugia malayi Nuclear hormone receptor family member nhr-3 0.007 0.4399 0.4399
Schistosoma mansoni 6-phosphofructokinase 0.0108 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.007 0.4399 0.4399
Brugia malayi photoreceptor-specific nuclear receptor 0.007 0.4399 0.4399
Entamoeba histolytica heat shock protein 90, putative 0.0096 0.833 0.833
Echinococcus granulosus heat shock protein 90 0.0096 0.833 0.833
Schistosoma mansoni heat shock protein 0.0096 0.833 0.833
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Schistosoma mansoni coup transcription factor 0.007 0.4399 0.4399
Loa Loa (eye worm) hypothetical protein 0.007 0.4399 0.4399
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.007 0.4399 0.4399
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.007 0.4399 0.4399
Plasmodium falciparum endoplasmin, putative 0.0059 0.2874 0.345
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.007 0.4399 0.4399
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.007 0.4399 0.4399
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.007 0.4399 0.4399
Trichomonas vaginalis phosphofructokinase, putative 0.0108 1 1
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Echinococcus multilocularis 6 phosphofructokinase 0.0108 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0077 0.5456 0.5456
Echinococcus granulosus nuclear receptor 2DBD gamma 0.007 0.4399 0.4399
Brugia malayi Nuclear hormone receptor family member nhr-49 0.007 0.4399 0.4399
Schistosoma mansoni RAR-like nuclear receptor 0.007 0.4399 0.4399
Onchocerca volvulus Protein ultraspiracle homolog 0.007 0.4399 1
Leishmania major heat shock protein 83-1 0.0096 0.833 0.833
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.007 0.4399 0.4399
Entamoeba histolytica phosphofructokinase, putative 0.0108 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.007 0.4399 0.4399
Echinococcus multilocularis FTZ F1 alpha 0.007 0.4399 0.4399
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0108 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.007 0.4399 0.4399
Trypanosoma cruzi heat shock protein 85, putative 0.0096 0.833 0.833
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.007 0.4399 0.4399
Loa Loa (eye worm) phosphofructokinase 0.0108 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.007 0.4399 0.4399
Trichomonas vaginalis phosphofructokinase, putative 0.0108 1 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0108 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0096 0.833 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0077 0.5456 0.5456
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0077 0.5456 0.5
Trichomonas vaginalis heat shock protein, putative 0.0059 0.2874 0.2874
Trypanosoma cruzi heat shock protein 85, putative 0.0096 0.833 0.833
Brugia malayi Nuclear hormone receptor family member nhr-31 0.007 0.4399 0.4399

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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