Detailed information for compound 1709588

Basic information

Technical information
  • TDR Targets ID: 1709588
  • Name: N,5-dimethyl-1-(4-nitrophenyl)-1,2,4-triazole -3-carboxamide
  • MW: 261.237 | Formula: C11H11N5O3
  • H donors: 1 H acceptors: 5 LogP: 1.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1nc(n(n1)c1ccc(cc1)[N+](=O)[O-])C
  • InChi: 1S/C11H11N5O3/c1-7-13-10(11(17)12-2)14-15(7)8-3-5-9(6-4-8)16(18)19/h3-6H,1-2H3,(H,12,17)
  • InChiKey: LGVSUCXKWZLGMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1H-318S
  • ZINC01397422
  • MLS000695160
  • N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
  • SMR000333591

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0182 0.0777
Onchocerca volvulus 0.0033 0.0182 0.5
Plasmodium falciparum lysophospholipase, putative 0.0237 0.2384 1
Schistosoma mansoni amidase 0.0232 0.2339 1
Trichomonas vaginalis conserved hypothetical protein 0.0237 0.2384 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0182 0.0703
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0028 0.0133 0.5
Schistosoma mansoni lamin 0.0033 0.0182 0.0222
Echinococcus multilocularis muscleblind protein 0.018 0.1777 0.7598
Echinococcus granulosus intermediate filament protein 0.0033 0.0182 0.0777
Loa Loa (eye worm) amidase 0.0028 0.0133 0.0569
Leishmania major monoglyceride lipase, putative 0.0237 0.2384 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0426 0.1824
Trypanosoma brucei monoglyceride lipase, putative 0.0237 0.2384 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0237 0.2384 0.5
Brugia malayi amidase 0.0232 0.2339 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1777 0.7598
Schistosoma mansoni lamin 0.0033 0.0182 0.0222
Echinococcus granulosus muscleblind protein 0.018 0.1777 0.7598
Mycobacterium ulcerans lysophospholipase 0.0237 0.2384 0.2281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0426 0.1331
Mycobacterium tuberculosis Possible lysophospholipase 0.0248 0.2509 0.2408
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.1777 0.7598
Brugia malayi putative amidase 0.0028 0.0133 0.0493
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0426 0.1331
Schistosoma mansoni intermediate filament proteins 0.0033 0.0182 0.0222
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0133 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0232 0.2339 1
Loa Loa (eye worm) amidase 0.0028 0.0133 0.0569
Echinococcus granulosus lamin dm0 0.0033 0.0182 0.0777
Plasmodium vivax PST-A protein 0.0237 0.2384 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0248 0.2509 1
Echinococcus granulosus lamin 0.0033 0.0182 0.0777
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5
Plasmodium falciparum lysophospholipase, putative 0.0237 0.2384 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0232 0.2339 1
Echinococcus multilocularis lamin dm0 0.0033 0.0182 0.0777
Trichomonas vaginalis conserved hypothetical protein 0.0237 0.2384 0.5
Plasmodium falciparum lysophospholipase, putative 0.0237 0.2384 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0237 0.2384 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0232 0.2339 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.2339 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0028 0.0133 0.0569
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0019 0.008
Echinococcus multilocularis muscleblind protein 1 0.018 0.1777 0.7598
Onchocerca volvulus 0.0033 0.0182 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0232 0.2339 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0182 0.0777
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0028 0.0133 0.0569
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0426 0.1824
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0133 0.5
Brugia malayi Amidase family protein 0.0028 0.0133 0.0493
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0237 0.2384 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0426 0.1824
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0426 0.1824
Trypanosoma brucei monoglyceride lipase, putative 0.0237 0.2384 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0028 0.0133 0.0569
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0426 0.1824
Loa Loa (eye worm) hypothetical protein 0.0033 0.0182 0.0777
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0028 0.0133 0.0569
Trypanosoma cruzi monoglyceride lipase, putative 0.0237 0.2384 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0232 0.2339 1
Plasmodium falciparum esterase, putative 0.0237 0.2384 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0426 0.1331
Brugia malayi intermediate filament protein 0.0033 0.0182 0.0703
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0942 1 1
Brugia malayi Muscleblind-like protein 0.018 0.1777 0.7579
Mycobacterium ulcerans hypothetical protein 0.0237 0.2384 0.2281
Loa Loa (eye worm) hypothetical protein 0.0032 0.0175 0.075
Echinococcus multilocularis musashi 0.0033 0.0182 0.0777
Echinococcus multilocularis lamin 0.0033 0.0182 0.0777
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0426 0.1758
Brugia malayi Amidase family protein 0.0028 0.0133 0.0493
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference

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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