Detailed information for compound 620645

Basic information

Technical information
  • TDR Targets ID: 620645
  • Name: 6-[[5-[(3-chlorophenyl)methylsulfanyl]-4-(4-m ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-p yrimidine-2,4-dione
  • MW: 455.917 | Formula: C21H18ClN5O3S
  • H donors: 2 H acceptors: 6 LogP: 4.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1c(nnc1SCc1cccc(c1)Cl)Cc1cc(O)nc(n1)O
  • InChi: 1S/C21H18ClN5O3S/c1-30-17-7-5-16(6-8-17)27-18(10-15-11-19(28)24-20(29)23-15)25-26-21(27)31-12-13-3-2-4-14(22)9-13/h2-9,11H,10,12H2,1H3,(H2,23,24,28,29)
  • InChiKey: XHCQTHDZXKVDHG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[[5-[(3-chlorophenyl)methylthio]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
  • 6-[[5-[(3-chlorobenzyl)thio]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]uracil

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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0202 0.0641
Brugia malayi Latrophilin receptor protein 2 0.0068 0.0294 0.0874
Schistosoma mansoni cellular tumor antigen P53 0.021 0.1303 0.1353
Brugia malayi RNA binding protein 0.047 0.3152 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0195 0.0618
Brugia malayi Pre-SET motif family protein 0.003 0.0023 0.0008
Brugia malayi Pre-SET motif family protein 0.0208 0.1287 0.4044
Brugia malayi MH2 domain containing protein 0.0369 0.2432 0.77
Loa Loa (eye worm) RNA binding protein 0.047 0.3152 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.1287 0.4083
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0202 0.0641
Brugia malayi RNA recognition motif domain containing protein 0.047 0.3152 1
Schistosoma mansoni hypothetical protein 0.0068 0.0294 0.0287
Echinococcus multilocularis musashi 0.0055 0.0202 0.0202
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.0294 0.0294
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0215 0.1337 0.4242
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0023 0.0023
Echinococcus multilocularis microtubule associated protein 2 0.1361 0.9481 0.9481
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.0294 0.0934
Echinococcus granulosus microtubule associated protein 2 0.1361 0.9481 0.9481
Schistosoma mansoni tar DNA-binding protein 0.047 0.3152 0.3309
Loa Loa (eye worm) hypothetical protein 0.021 0.1303 0.4133
Loa Loa (eye worm) hypothetical protein 0.0147 0.0855 0.2711
Onchocerca volvulus 0.0055 0.0202 0.1217
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.0294 0.0294
Schistosoma mansoni tar DNA-binding protein 0.047 0.3152 0.3309
Loa Loa (eye worm) hypothetical protein 0.0068 0.0294 0.0934
Schistosoma mansoni hypothetical protein 0.0068 0.0294 0.0287
Schistosoma mansoni tar DNA-binding protein 0.047 0.3152 0.3309
Onchocerca volvulus 0.021 0.1303 0.8719
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.0294 0.0874
Loa Loa (eye worm) hypothetical protein 0.003 0.0023 0.0074
Echinococcus multilocularis lamin dm0 0.0055 0.0202 0.0202
Onchocerca volvulus 0.0055 0.0202 0.1217
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.0294 0.0294
Schistosoma mansoni hypothetical protein 0.0147 0.0855 0.0879
Echinococcus granulosus intermediate filament protein 0.0055 0.0202 0.0202
Echinococcus granulosus tar DNA binding protein 0.047 0.3152 0.3152
Schistosoma mansoni lamin 0.0055 0.0202 0.0189
Echinococcus multilocularis tumor protein p63 0.1434 1 1
Onchocerca volvulus 0.0236 0.1491 1
Echinococcus multilocularis GPCR, family 2 0.0068 0.0294 0.0294
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0202 0.0579
Loa Loa (eye worm) TAR-binding protein 0.047 0.3152 1
Plasmodium vivax SET domain protein, putative 0.003 0.0023 0.5
Echinococcus granulosus lamin dm0 0.0055 0.0202 0.0202
Echinococcus multilocularis lamin 0.0055 0.0202 0.0202
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0023 0.0023
Loa Loa (eye worm) transcription factor SMAD2 0.0369 0.2432 0.7715
Echinococcus granulosus lamin 0.0055 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0215 0.1337 0.4242
Brugia malayi latrophilin 2 splice variant baaae 0.0147 0.0855 0.2663
Trichomonas vaginalis set domain proteins, putative 0.0236 0.1491 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0021 0.0066
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0023 0.5
Echinococcus granulosus GPCR family 2 0.0068 0.0294 0.0294
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0023 0.0023
Schistosoma mansoni tar DNA-binding protein 0.047 0.3152 0.3309
Schistosoma mansoni lamin 0.0055 0.0202 0.0189
Echinococcus multilocularis tar DNA binding protein 0.047 0.3152 0.3152
Schistosoma mansoni tar DNA-binding protein 0.047 0.3152 0.3309
Loa Loa (eye worm) MH2 domain-containing protein 0.0369 0.2432 0.7715
Brugia malayi Calcitonin receptor-like protein seb-1 0.0215 0.1337 0.4204
Schistosoma mansoni microtubule-associated protein tau 0.1361 0.9481 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0215 0.1337 0.4204
Brugia malayi intermediate filament protein 0.0055 0.0202 0.0579
Loa Loa (eye worm) hypothetical protein 0.0055 0.0202 0.0641
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.047 0.3152 1
Schistosoma mansoni hypothetical protein 0.0068 0.0294 0.0287
Schistosoma mansoni intermediate filament proteins 0.0055 0.0202 0.0189
Brugia malayi TAR-binding protein 0.047 0.3152 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.0294 0.0294
Schistosoma mansoni hypothetical protein 0.0068 0.0294 0.0287
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0015 0.0015

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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