Detailed information for compound 672536

Basic information

Technical information
  • TDR Targets ID: 672536
  • Name: 4-[(4-diethylaminophenyl)methylideneamino]-5- (2-methylphenyl)-2H-1,2,4-triazole-3-thione
  • MW: 365.495 | Formula: C20H23N5S
  • H donors: 0 H acceptors: 2 LogP: 4.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)C=Nn1c(S)nnc1c1ccccc1C)CC
  • InChi: 1S/C20H23N5S/c1-4-24(5-2)17-12-10-16(11-13-17)14-21-25-19(22-23-20(25)26)18-9-7-6-8-15(18)3/h6-14H,4-5H2,1-3H3,(H,23,26)/b21-14+
  • InChiKey: YYPPDKSZOFMJGB-KGENOOAVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(4-diethylaminophenyl)methyleneamino]-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione
  • 4-[(4-diethylaminobenzylidene)amino]-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione
  • ST5061861
  • Oprea1_202327

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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.016 0.0136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.016 0.0136
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0658
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0114 0.0509 1
Loa Loa (eye worm) hypothetical protein 0.0444 0.2267 0.2271
Loa Loa (eye worm) hypothetical protein 0.005 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0052 0.0175 0.0175
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0174 0.0141
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0574 0.2957 1
Loa Loa (eye worm) hypothetical protein 0.0251 0.1239 0.1241
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.017 0.0137
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0175 1
Schistosoma mansoni inositol monophosphatase 0.0114 0.0509 0.0486
Trichomonas vaginalis inositol monophosphatase, putative 0.0114 0.0509 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.016 0.016
Echinococcus granulosus survival motor neuron protein 1 0.0251 0.1239 0.1218
Echinococcus multilocularis inositol monophosphatase 1 0.0114 0.0509 0.0486
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0114 0.0509 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0085 0.0061
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0658
Brugia malayi Muscleblind-like protein 0.0444 0.2267 0.2241
Loa Loa (eye worm) hypothetical protein 0.1894 0.9985 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0033 0.0658
Loa Loa (eye worm) inositol-1 0.0114 0.0509 0.051
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.016 0.0127
Schistosoma mansoni hypothetical protein 0.0178 0.0848 0.0826
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0114 0.0509 1
Schistosoma mansoni protein kinase 0.1897 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.016 0.0136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.016 0.0136
Loa Loa (eye worm) hypothetical protein 0.0444 0.2267 0.2271
Echinococcus granulosus inositol monophosphatase 1 0.0114 0.0509 0.0486
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0175 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0033 0.0752
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0114 0.0509 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0033 0.0752
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0114 0.0509 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0085 0.0085
Brugia malayi Inositol-1 0.0114 0.0509 0.0477
Echinococcus multilocularis muscleblind protein 1 0.0444 0.2267 0.2249
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0114 0.0509 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0085 0.0051
Schistosoma mansoni hypothetical protein 0.0178 0.0848 0.0826
Leishmania major hypothetical protein, conserved 0.0052 0.0175 0.2979
Brugia malayi hypothetical protein 0.0251 0.1239 0.121
Echinococcus multilocularis survival motor neuron protein 1 0.0251 0.1239 0.1218
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.016 0.0136
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.017 0.017
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.017 0.0137
Mycobacterium ulcerans hypothetical protein 0.0025 0.0033 0.0658
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.016 0.0136
Schistosoma mansoni inositol monophosphatase 0.0114 0.0509 0.0486
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0114 0.0509 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0574 0.2957 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0102 0.0446 1
Schistosoma mansoni protein kinase 0.1897 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0033 0.0658
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0114 0.0509 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0033 0.0034
Onchocerca volvulus 0.0051 0.0174 1
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0175 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0658
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0796 0.414 0.4126
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1897 1 1
Echinococcus granulosus geminin 0.0178 0.0848 0.0826
Loa Loa (eye worm) hypothetical protein 0.0025 0.0033 0.0034
Loa Loa (eye worm) hypothetical protein 0.0571 0.2942 0.2946
Schistosoma mansoni survival motor neuron protein 0.0051 0.0174 0.015
Echinococcus granulosus muscleblind protein 0.0444 0.2267 0.2249
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0114 0.0509 0.1201
Brugia malayi hypothetical protein 0.0033 0.0078 0.0045
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0033 0.0658
Brugia malayi hypothetical protein 0.0052 0.0175 0.0142
Loa Loa (eye worm) hypothetical protein 0.0025 0.0033 0.0034
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1897 1 1
Schistosoma mansoni hypothetical protein 0.0051 0.0174 0.015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.016 0.0136
Echinococcus multilocularis muscleblind protein 0.0444 0.2267 0.2249
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0574 0.2957 0.2961
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0102 0.0446 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0033 0.0658
Echinococcus multilocularis geminin 0.0178 0.0848 0.0826
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0114 0.0509 0.1201

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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