Detailed information for compound 620687

Basic information

Technical information
  • TDR Targets ID: 620687
  • Name: 6-[[4-(4-ethoxyphenyl)-5-[(3-fluorophenyl)met hylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-py rimidine-2,4-dione
  • MW: 453.489 | Formula: C22H20FN5O3S
  • H donors: 2 H acceptors: 6 LogP: 4.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)n1c(nnc1SCc1cccc(c1)F)Cc1cc(O)nc(n1)O
  • InChi: 1S/C22H20FN5O3S/c1-2-31-18-8-6-17(7-9-18)28-19(11-16-12-20(29)25-21(30)24-16)26-27-22(28)32-13-14-4-3-5-15(23)10-14/h3-10,12H,2,11,13H2,1H3,(H2,24,25,29,30)
  • InChiKey: AZKIOTOFIXSUMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[[4-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
  • 6-[[4-(4-ethoxyphenyl)-5-[(3-fluorobenzyl)thio]-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
Brugia malayi Bromodomain containing protein 0.0037 0.0737 0.1991
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.3704 1
Schistosoma mansoni zinc finger protein 0.0019 0.0159 0.036
Mycobacterium ulcerans lipase LipD 0.0035 0.0666 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0387 0.1045
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0666 0.1741
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0666 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.025 0.0171
Loa Loa (eye worm) hypothetical protein 0.0035 0.0666 0.1799
Loa Loa (eye worm) hypothetical protein 0.0026 0.0387 0.1045
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0666 0.5
Schistosoma mansoni intermediate filament proteins 0.0026 0.0387 0.0981
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0387 0.1045
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0081 0.0147
Loa Loa (eye worm) hypothetical protein 0.0041 0.0872 0.2354
Mycobacterium ulcerans beta-lactamase 0.0035 0.0666 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0666 0.1799
Loa Loa (eye worm) hypothetical protein 0.0016 0.0081 0.0218
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0081 0.0147
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.025 0.0171
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0666 0.5
Loa Loa (eye worm) TAR-binding protein 0.013 0.3704 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0666 0.1799
Schistosoma mansoni tar DNA-binding protein 0.013 0.3704 1
Echinococcus granulosus lamin dm0 0.0026 0.0387 0.0309
Loa Loa (eye worm) hypothetical protein 0.0035 0.0666 0.1799
Loa Loa (eye worm) hypothetical protein 0.0035 0.0666 0.1799
Loa Loa (eye worm) beta-lactamase 0.0035 0.0666 0.1799
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.01 0.0269
Echinococcus granulosus lamin 0.0026 0.0387 0.0309
Echinococcus multilocularis tumor protein p63 0.0327 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0666 0.1741
Trichomonas vaginalis esterase, putative 0.0035 0.0666 0.5
Onchocerca volvulus 0.0035 0.0666 0.4018
Brugia malayi Bromodomain containing protein 0.0073 0.1872 0.5054
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0666 0.5
Brugia malayi beta-lactamase 0.0035 0.0666 0.1799
Loa Loa (eye worm) hypothetical protein 0.0068 0.174 0.4697
Schistosoma mansoni lamin 0.0026 0.0387 0.0981
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.025 0.0609
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0666 0.0591
Mycobacterium ulcerans hypothetical protein 0.0035 0.0666 0.5
Echinococcus granulosus zinc finger protein 0.0019 0.0159 0.0079
Brugia malayi beta-lactamase family protein 0.0035 0.0666 0.1799
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0081 0.0147
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0081 0.0147
Brugia malayi RNA binding protein 0.013 0.3704 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.3338 0.9011
Loa Loa (eye worm) hypothetical protein 0.0035 0.0666 0.1799
Echinococcus granulosus intermediate filament protein 0.0026 0.0387 0.0309
Schistosoma mansoni hypothetical protein 0.002 0.0191 0.0448
Onchocerca volvulus 0.0048 0.1082 1
Leishmania major hypothetical protein, conserved 0.0035 0.0666 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1399 0.1329
Brugia malayi TAR-binding protein 0.013 0.3704 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0813 0.2194
Schistosoma mansoni tar DNA-binding protein 0.013 0.3704 1
Echinococcus multilocularis lamin 0.0026 0.0387 0.0309
Schistosoma mansoni bromodomain containing protein 0.0061 0.151 0.4033
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.6665 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0666 1
Echinococcus multilocularis tar DNA binding protein 0.013 0.3704 0.3653
Brugia malayi beta-lactamase family protein 0.0035 0.0666 0.1799
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0666 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0666 0.5
Brugia malayi intermediate filament protein 0.0026 0.0387 0.1045
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0191 0.0516
Schistosoma mansoni tar DNA-binding protein 0.013 0.3704 1
Brugia malayi PHD-finger family protein 0.0024 0.0324 0.0873
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0666 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0387 0.1045
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1399 0.1329
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.3338 0.9011
Schistosoma mansoni tar DNA-binding protein 0.013 0.3704 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0666 0.0591
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0664 0.0588
Echinococcus multilocularis zinc finger protein 0.0019 0.0159 0.0079
Onchocerca volvulus 0.0035 0.0666 0.4018
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0666 0.5
Loa Loa (eye worm) RNA binding protein 0.013 0.3704 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.3704 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0666 1
Echinococcus multilocularis lamin dm0 0.0026 0.0387 0.0309
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0664 0.0588
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0666 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0666 0.1799
Brugia malayi RNA recognition motif domain containing protein 0.013 0.3704 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0666 0.5
Brugia malayi MH2 domain containing protein 0.0118 0.3338 0.9011
Echinococcus granulosus tar DNA binding protein 0.013 0.3704 0.3653
Loa Loa (eye worm) hypothetical protein 0.0048 0.1082 0.2922
Schistosoma mansoni lamin 0.0026 0.0387 0.0981
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.1082 0.2871
Echinococcus multilocularis musashi 0.0026 0.0387 0.0309
Loa Loa (eye worm) hypothetical protein 0.0026 0.0372 0.1004
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0666 1
Onchocerca volvulus 0.0035 0.0666 0.4018
Toxoplasma gondii ABC1 family protein 0.0035 0.0666 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0666 0.1799
Loa Loa (eye worm) hypothetical protein 0.0037 0.074 0.1997

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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