Detailed information for compound 819918

Basic information

Technical information
  • TDR Targets ID: 819918
  • Name: 2-(2H-1,2,4-triazol-3-ylsulfanyl)-N-(2,4,6-tr imethylphenyl)propanamide
  • MW: 290.384 | Formula: C14H18N4OS
  • H donors: 2 H acceptors: 3 LogP: 2.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Sc1n[nH]cn1)C)Nc1c(C)cc(cc1C)C
  • InChi: 1S/C14H18N4OS/c1-8-5-9(2)12(10(3)6-8)17-13(19)11(4)20-14-15-7-16-18-14/h5-7,11H,1-4H3,(H,17,19)(H,15,16,18)
  • InChiKey: ZJBRNRGWYSMSDA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2H-1,2,4-triazol-3-ylthio)-N-(2,4,6-trimethylphenyl)propanamide
  • 2-(2H-1,2,4-triazol-3-ylthio)-N-(2,4,6-trimethylphenyl)propionamide
  • A2659/0113384
  • BIM-0013628.P001
  • CBMicro_013631
  • T5635296
  • 2-(2H-[1,2,4]Triazol-3-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-propionamide
  • N-Mesityl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

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
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0306 0.2545 0.2521
Loa Loa (eye worm) hypothetical protein 0.0275 0.223 0.2205
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.0475 0.176
Brugia malayi hypothetical protein 0.0275 0.223 0.223
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0072 0.0158
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0098 0.0341
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0098 0.026
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0306 0.2545 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0098 0.026
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1037 1 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0306 0.2545 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1037 1 1
Brugia malayi MAP kinase sur-1 0.0059 0.0032 0.0032
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0306 0.2545 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1037 1 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0306 0.2545 0.2545
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0218 0.1656 0.646
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0306 0.2545 0.5
Onchocerca volvulus 0.1037 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0249 0.1963 0.1884
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0306 0.2545 0.2521
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0306 0.2545 0.2521
Loa Loa (eye worm) hypothetical protein 0.0063 0.0072 0.004
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1037 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0275 0.223 0.8747
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0098 0.0341
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0218 0.1656 0.646
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0098 0.026
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1037 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.0475 0.176
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0072 0.0158
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0306 0.2545 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0098 0.026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.0475 0.176
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0032 0.0113
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0688 0.0657
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1037 1 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0306 0.2545 0.2521
Echinococcus multilocularis survival motor neuron protein 1 0.0275 0.223 0.8747
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0072 0.0251
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0306 0.2545 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0103 0.0475 0.0444
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0306 0.2545 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0072 0.0072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0475 0.1657
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1037 1 1
Schistosoma mansoni hypothetical protein 0.0337 0.2864 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0306 0.2545 1
Loa Loa (eye worm) MBCTL1 0.0063 0.0072 0.004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0475 0.1657
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1037 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1037 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0688 0.0657
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1037 1 1
Brugia malayi MH2 domain containing protein 0.0123 0.0688 0.0688
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0306 0.2545 0.8886
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.0475 0.176
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0072 0.0158
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0306 0.2545 0.2545
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0306 0.2545 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1037 1 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1037 1 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0072 0.0158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0475 0.1657
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0103 0.0475 0.0475

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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