Detailed information for compound 620642

Basic information

Technical information
  • TDR Targets ID: 620642
  • Name: 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4 -phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-eth oxyphenyl)acetamide
  • MW: 478.524 | Formula: C23H22N6O4S
  • H donors: 3 H acceptors: 7 LogP: 3.4 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)Cc1cc(O)nc(n1)O
  • InChi: 1S/C23H22N6O4S/c1-2-33-18-10-8-15(9-11-18)24-21(31)14-34-23-28-27-19(29(23)17-6-4-3-5-7-17)12-16-13-20(30)26-22(32)25-16/h3-11,13H,2,12,14H2,1H3,(H,24,31)(H2,25,26,30,32)
  • InChiKey: LHLGIBAJJWWGNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide
  • 2-[[5-[(2,6-diketo-3H-pyrimidin-4-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide
  • 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide

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
Brugia malayi Intermediate filament tail domain containing protein 0.0169 0.061 0.2412
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.011 0.011
Schistosoma mansoni cellular tumor antigen P53 0.0157 0.0557 0.0557
Loa Loa (eye worm) hypothetical protein 0.0157 0.0557 0.2205
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.011 0.011
Echinococcus multilocularis lamin 0.0169 0.061 0.061
Echinococcus granulosus tumor protein p63 0.1075 0.4729 0.4729
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.0304 0.1204
Echinococcus granulosus tar DNA binding protein 0.059 0.2527 0.2527
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.009 0.0253 0.1001
Echinococcus granulosus lamin dm0 0.0169 0.061 0.061
Schistosoma mansoni tar DNA-binding protein 0.059 0.2527 0.2527
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.011 0.011
Plasmodium vivax SET domain protein, putative 0.0059 0.011 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0511 0.2164 0.8565
Loa Loa (eye worm) intermediate filament protein 0.0169 0.061 0.2412
Echinococcus granulosus lamin 0.0169 0.061 0.061
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.011 0.5
Loa Loa (eye worm) hypothetical protein 0.0169 0.061 0.2412
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.0304 0.1204
Echinococcus multilocularis musashi 0.0169 0.061 0.061
Echinococcus granulosus intermediate filament protein 0.0169 0.061 0.061
Schistosoma mansoni hypothetical protein 0.007 0.0158 0.0158
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0081 0.0212 0.0212
Brugia malayi MH2 domain containing protein 0.0511 0.2164 0.8565
Schistosoma mansoni microtubule-associated protein tau 0.2234 1 1
Loa Loa (eye worm) RNA binding protein 0.059 0.2527 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0169 0.061 0.2412
Schistosoma mansoni tar DNA-binding protein 0.059 0.2527 0.2527
Onchocerca volvulus 0.0467 0.1967 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0198 0.0784
Schistosoma mansoni lamin 0.0169 0.061 0.061
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0411 0.1709 0.6762
Loa Loa (eye worm) hypothetical protein 0.0078 0.0198 0.0784
Loa Loa (eye worm) hypothetical protein 0.0081 0.0212 0.084
Brugia malayi cytoplasmic intermediate filament protein 0.009 0.0253 0.1001
Schistosoma mansoni tar DNA-binding protein 0.059 0.2527 0.2527
Echinococcus multilocularis microtubule associated protein 2 0.2234 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0158 0.0625
Loa Loa (eye worm) TAR-binding protein 0.059 0.2527 1
Brugia malayi RNA binding protein 0.059 0.2527 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0102 0.0304 0.1204
Schistosoma mansoni lamin 0.0169 0.061 0.061
Brugia malayi RNA recognition motif domain containing protein 0.059 0.2527 1
Brugia malayi Pre-SET motif family protein 0.0411 0.1709 0.6762
Schistosoma mansoni intermediate filament proteins 0.0169 0.061 0.061
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.059 0.2527 1
Echinococcus multilocularis lamin dm0 0.0169 0.061 0.061
Onchocerca volvulus 0.0157 0.0557 0.241
Brugia malayi intermediate filament protein 0.0169 0.061 0.2412
Loa Loa (eye worm) transcription factor SMAD2 0.0511 0.2164 0.8565
Echinococcus multilocularis tar DNA binding protein 0.059 0.2527 0.2527
Onchocerca volvulus 0.0169 0.061 0.2692
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.0304 0.1204
Loa Loa (eye worm) hypothetical protein 0.0059 0.011 0.0433
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0081 0.0212 0.0212
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.011 0.011
Brugia malayi TAR-binding protein 0.059 0.2527 1
Schistosoma mansoni tar DNA-binding protein 0.059 0.2527 0.2527
Loa Loa (eye worm) hypothetical protein 0.0166 0.0595 0.2357
Trichomonas vaginalis set domain proteins, putative 0.0467 0.1967 0.5
Schistosoma mansoni tar DNA-binding protein 0.059 0.2527 0.2527
Echinococcus multilocularis tumor protein p63 0.1075 0.4729 0.4729
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.011 0.011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.007 0.0158 0.0625
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.01 0.01
Brugia malayi Pre-SET motif family protein 0.0059 0.011 0.0433
Onchocerca volvulus 0.0169 0.061 0.2692

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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