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

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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