Detailed information for compound 804171

Basic information

Technical information
  • TDR Targets ID: 804171
  • Name: 5-amino-1-[(4-bromophenyl)methyl]-N-(4-methyl phenyl)triazole-4-carboxamide
  • MW: 386.246 | Formula: C17H16BrN5O
  • H donors: 2 H acceptors: 3 LogP: 3.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NC(=O)c1nnn(c1N)Cc1ccc(cc1)Br
  • InChi: 1S/C17H16BrN5O/c1-11-2-8-14(9-3-11)20-17(24)15-16(19)23(22-21-15)10-12-4-6-13(18)7-5-12/h2-9H,10,19H2,1H3,(H,20,24)
  • InChiKey: KLDHYCAAKUBQCN-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-amino-1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4-triazolecarboxamide
  • 5-amino-1-(4-bromobenzyl)-N-(4-methylphenyl)triazole-4-carboxamide
  • 5-amino-1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-1,2,3-triazole-4-carboxamide

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
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0445 0.5118 0.4358
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0292 0.314 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0445 0.5118 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0274 0.2916 0.3796
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0445 0.5118 0.4358
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0274 0.2916 0.9288
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0445 0.5118 0.5
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0274 0.2916 0.9288
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0445 0.5118 0.4358
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.017 0.1569 0.3067
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0121 0.0939 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0445 0.5118 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0445 0.5118 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0445 0.5118 0.5
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0445 0.5118 0.5
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0445 0.5118 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0445 0.5118 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 0.4358
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0153 0.1346 0.2629
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0822 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0445 0.5118 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0445 0.5118 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 0.4358
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0445 0.5118 0.5
Brugia malayi MH2 domain containing protein 0.0117 0.0881 0.1722
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0274 0.2916 0.3796
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 0.4358
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0445 0.5118 0.5
Loa Loa (eye worm) hypothetical protein 0.0274 0.2916 0.9288
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 0.4358
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0445 0.5118 0.5
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0445 0.5118 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0445 0.5118 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0445 0.5118 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0292 0.314 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0445 0.5118 0.5
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0822 1 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0445 0.5118 0.5
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0121 0.0939 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0881 0.2807
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0445 0.5118 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0445 0.5118 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0445 0.5118 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0822 1 1
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0445 0.5118 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0881 0.2807

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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