Detailed information for compound 714442

Basic information

Technical information
  • TDR Targets ID: 714442
  • Name: 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfa nyl]-N-(3-methylphenyl)acetamide
  • MW: 318.437 | Formula: C16H22N4OS
  • H donors: 1 H acceptors: 3 LogP: 3.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1nnc(n1C)SCC(=O)Nc1cccc(c1)C
  • InChi: 1S/C16H22N4OS/c1-4-5-9-14-18-19-16(20(14)3)22-11-15(21)17-13-8-6-7-12(2)10-13/h6-8,10H,4-5,9,11H2,1-3H3,(H,17,21)
  • InChiKey: XFPPWHLZNIWPQD-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)acetamide
  • 2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)ethanamide
  • ZINC04856270

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 granulosus phenylalanyl tRNA synthetase alpha chain B 0.036 0.2203 0.7193
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0158 0.0276
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.0581 0.2532
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.0581 0.212
Loa Loa (eye worm) hypothetical protein 0.0074 0.0318 0.1063
Onchocerca volvulus 0.005 0.0158 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0241 0.0557
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0137 0.0734 0.3235
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0158 0.0276
Plasmodium falciparum phenylalanine--tRNA ligase 0.0176 0.0991 0.4418
Brugia malayi 6-phosphofructokinase 0.0114 0.0581 0.2636
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0158 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0144 0.023
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0243 0.1434 0.6459
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.036 0.2203 1
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.036 0.2203 1
Brugia malayi mbt repeat family protein 0.005 0.0158 0.0717
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0137 0.0734 0.3235
Echinococcus granulosus 6 phosphofructokinase 0.0114 0.0581 0.1706
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.0581 0.2532
Loa Loa (eye worm) hypothetical protein 0.0043 0.011 0.0078
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.0581 0.2532
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0204 0.0431
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0243 0.1434 0.6459
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0243 0.1434 0.4592
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0158 0.0307
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0158 0.0276
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.0581 0.2532
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0204 0.0925
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.036 0.2203 1
Echinococcus multilocularis neuropeptide s receptor 0.0485 0.3033 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0158 0.0276
Brugia malayi Bromodomain containing protein 0.004 0.0093 0.0421
Mycobacterium ulcerans 6-phosphofructokinase 0.0114 0.0581 0.0501
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.154 1 1
Schistosoma mansoni hypothetical protein 0.0304 0.1837 0.8224
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0144 0.023
Echinococcus multilocularis 6 phosphofructokinase 0.0114 0.0581 0.1706
Echinococcus granulosus neuropeptide receptor A26 0.0485 0.3033 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.113 0.3565
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0158 0.0066
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0158 0.0066
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.036 0.2203 1
Brugia malayi 6-phosphofructokinase 0.0114 0.0581 0.2636
Echinococcus granulosus neuropeptide s receptor 0.0485 0.3033 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0204 0.0288
Plasmodium falciparum phenylalanine--tRNA ligase 0.0243 0.1434 0.6459
Echinococcus multilocularis neuropeptide receptor A26 0.0485 0.3033 1
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.0581 0.2532
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0144 0.023
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.0581 0.2311
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0204 0.0431
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0241 0.0557
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.036 0.2203 1
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.0581 0.212
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.0581 0.2532
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0144 0.0655
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.036 0.2203 1
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0243 0.1434 0.6264
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0204 0.0431
Loa Loa (eye worm) hypothetical protein 0.005 0.0158 0.0307
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0158 0.0066
Loa Loa (eye worm) hypothetical protein 0.0057 0.0204 0.0523
Brugia malayi Bromodomain containing protein 0.0079 0.0347 0.1576
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.036 0.2203 1
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0243 0.1434 0.6354
Loa Loa (eye worm) phosphofructokinase 0.0114 0.0581 0.2311
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0243 0.1434 0.6509
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0204 0.0431
Brugia malayi phosphofructokinase 0.0114 0.0581 0.2636
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0144 0.0242
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0144 0.023
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.154 1 1
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.036 0.2203 1
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.036 0.2203 1
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.036 0.2203 0.7193
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.0581 0.2311
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0114 0.0581 0.2532
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0114 0.0581 0.0501
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.154 1 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0137 0.0734 0.2862
Loa Loa (eye worm) MBCTL1 0.0057 0.0204 0.0523
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.0581 0.2532
Brugia malayi mbt repeat family protein 0.005 0.0158 0.0717
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.036 0.2203 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0123 0.0141
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0222 0.1297 1
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0243 0.1434 0.4592
Schistosoma mansoni bromodomain containing protein 0.0066 0.0266 0.0591
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0039 0.0084 0.0054
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.036 0.2203 1
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.036 0.2203 1
Loa Loa (eye worm) hypothetical protein 0.036 0.2203 1
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0137 0.0734 0.3235
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.113 0.3565

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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