Detailed information for compound 620637

Basic information

Technical information
  • TDR Targets ID: 620637
  • Name: 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4 -(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfany l]-N-(4-methylphenyl)acetamide
  • MW: 478.524 | Formula: C23H22N6O4S
  • H donors: 3 H acceptors: 7 LogP: 3.4 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1Cc1cc(O)nc(n1)O
  • InChi: 1S/C23H22N6O4S/c1-14-6-8-15(9-7-14)24-21(31)13-34-23-28-27-19(10-16-11-20(30)26-22(32)25-16)29(23)17-4-3-5-18(12-17)33-2/h3-9,11-12H,10,13H2,1-2H3,(H,24,31)(H2,25,26,30,32)
  • InChiKey: TZQKOPXPDISERK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide
  • 2-[[5-[(2,6-diketo-3H-pyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide
  • 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)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
Schistosoma mansoni lamin 0.0053 0.0804 0.2408
Onchocerca volvulus 0.0232 0.6547 1
Echinococcus multilocularis lamin 0.0053 0.0804 0.0772
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0692 0.2058
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3227 1
Echinococcus multilocularis tumor protein p63 0.034 1 1
Loa Loa (eye worm) RNA binding protein 0.0129 0.3227 0.5712
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.5642 1
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3227 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0804 0.1408
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.3227 0.5712
Schistosoma mansoni hypothetical protein 0.0034 0.0195 0.0503
Echinococcus multilocularis tar DNA binding protein 0.0129 0.3227 0.3204
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0195 0.0328
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0035 0.0035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0704 0.1232
Plasmodium vivax SET domain protein, putative 0.0029 0.0035 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.3227 0.5712
Schistosoma mansoni lamin 0.0053 0.0804 0.2408
Brugia malayi TAR-binding protein 0.0129 0.3227 0.5712
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3227 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0328
Loa Loa (eye worm) hypothetical protein 0.005 0.0704 0.1232
Loa Loa (eye worm) hypothetical protein 0.005 0.0692 0.1209
Brugia malayi Pre-SET motif family protein 0.0029 0.0035 0.0043
Brugia malayi RNA binding protein 0.0129 0.3227 0.5712
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0804 0.1408
Echinococcus multilocularis lamin dm0 0.0053 0.0804 0.0772
Schistosoma mansoni intermediate filament proteins 0.0053 0.0804 0.2408
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3227 1
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0804 0.1408
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0704 0.1232
Echinococcus granulosus tar DNA binding protein 0.0129 0.3227 0.3227
Onchocerca volvulus 0.0053 0.0804 0.1181
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0035 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0704 0.1232
Echinococcus granulosus lamin 0.0053 0.0804 0.0804
Brugia malayi Pre-SET motif family protein 0.0204 0.5642 1
Loa Loa (eye worm) TAR-binding protein 0.0129 0.3227 0.5712
Brugia malayi intermediate filament protein 0.0053 0.0804 0.1408
Echinococcus multilocularis musashi 0.0053 0.0804 0.0772
Echinococcus granulosus intermediate filament protein 0.0053 0.0804 0.0804
Onchocerca volvulus 0.005 0.0692 0.1009
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3227 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0772 0.1353
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0804 0.1408
Loa Loa (eye worm) hypothetical protein 0.0029 0.0035 0.0043
Onchocerca volvulus 0.0053 0.0804 0.1181
Echinococcus granulosus lamin dm0 0.0053 0.0804 0.0804
Trichomonas vaginalis set domain proteins, putative 0.0232 0.6547 0.5

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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