Detailed information for compound 255566

Basic information

Technical information
  • TDR Targets ID: 255566
  • Name: 1-(1H-imidazol-2-yl)-2,4,6-trimethylpyridin-1 -ium perchlorate
  • MW: 287.7 | Formula: C11H14ClN3O4
  • H donors: 1 H acceptors: 5 LogP: 4.45 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][Cl](=O)(=O)=O.Cc1cc(C)[n+](c(c1)C)c1ncc[nH]1
  • InChi: 1S/C11H14N3.ClHO4/c1-8-6-9(2)14(10(3)7-8)11-12-4-5-13-11;2-1(3,4)5/h4-7H,1-3H3,(H,12,13);(H,2,3,4,5)/q+1;/p-1
  • InChiKey: LQTNHPACWHTEGF-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1H-imidazol-2-yl)-2,4,6-trimethyl-pyridin-1-ium perchlorate

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
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1741 0.7038 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.1741 0.7038 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1741 0.7038 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1741 0.7038 0.5
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.1741 0.7038 0.5
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.1741 0.7038 0.5
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.1741 0.7038 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1107 0.3004 0.4268
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.2207 1 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1171 0.3414 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.2207 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1741 0.7038 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1741 0.7038 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.2207 1 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1741 0.7038 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1741 0.7038 0.5
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.1741 0.7038 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1741 0.7038 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1741 0.7038 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1741 0.7038 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1741 0.7038 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.1741 0.7038 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1741 0.7038 0.5
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1171 0.3414 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.1741 0.7038 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1741 0.7038 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1741 0.7038 0.5
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.1741 0.7038 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1107 0.3004 0.4268
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1741 0.7038 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1741 0.7038 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1741 0.7038 1
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.1741 0.7038 0.5

Activities

Activity type Activity value Assay description Source Reference
KA (binding) = 0.021 uM Bovine Carbonic anhydrase IV activity using histamine as standard ChEMBL. 11784154
KA (binding) = 0.021 uM Bovine Carbonic anhydrase IV activity using histamine as standard ChEMBL. 11784154
KA (binding) = 0.036 uM Inhibition of human Carbonic anhydrase I, using histamine as standard ChEMBL. 11784154
KA (binding) = 0.036 uM Inhibition of human Carbonic anhydrase I, using histamine as standard ChEMBL. 11784154
KA (binding) = 0.347 uM Inhibition of human Carbonic anhydrase II, using histamine as standard ChEMBL. 11784154
KA (binding) = 0.347 uM Inhibition of human Carbonic anhydrase II, using histamine as standard ChEMBL. 11784154

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

1 literature reference was collected for this gene.

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