Detailed information for compound 703096

Basic information

Technical information
  • TDR Targets ID: 703096
  • Name: 2-ethyl-5-[(4-fluorophenyl)-[4-(2-fluoropheny l)piperazin-1-yl]methyl]-[1,3]thiazolo[2,3-e] [1,2,4]triazol-6-ol
  • MW: 455.523 | Formula: C23H23F2N5OS
  • H donors: 1 H acceptors: 3 LogP: 5.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nn2c(n1)sc(c2O)C(c1ccc(cc1)F)N1CCN(CC1)c1ccccc1F
  • InChi: 1S/C23H23F2N5OS/c1-2-19-26-23-30(27-19)22(31)21(32-23)20(15-7-9-16(24)10-8-15)29-13-11-28(12-14-29)18-6-4-3-5-17(18)25/h3-10,20,31H,2,11-14H2,1H3
  • InChiKey: RCVHXQVUHHMSKN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-ethyl-5-[(4-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol
  • 2-ethyl-5-[(4-fluorophenyl)-[4-(2-fluorophenyl)-1-piperazinyl]methyl]-6-thiazolo[2,3-e][1,2,4]triazolol

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 retinoid-x-receptor (RXR) 0.001 0.0092 0.0307
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0092 0.0736
Onchocerca volvulus 0.0033 0.118 0.3761
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1246 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0092 0.0177
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1246 0.5
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0092 0.0177
Loa Loa (eye worm) hypothetical protein 0.0035 0.1246 0.2409
Loa Loa (eye worm) hypothetical protein 0.0035 0.1246 0.2409
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0092 0.0177
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Loa Loa (eye worm) hypothetical protein 0.0035 0.1246 0.2409
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0177
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0092 0.0736
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0092 0.0736
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.5173 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1246 0.2409
Schistosoma mansoni hypothetical protein 0.0072 0.2986 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.118 0.3953
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1246 0.2409
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0092 0.0307
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0092 0.0736
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1246 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0092 0.0736
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0092 0.0177
Leishmania major hypothetical protein, conserved 0.0035 0.1246 1
Onchocerca volvulus 0.0035 0.1246 0.399
Onchocerca volvulus 0.0072 0.2986 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0177
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0092 0.0736
Loa Loa (eye worm) beta-lactamase 0.0035 0.1246 0.2409
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1246 1
Brugia malayi MH2 domain containing protein 0.0119 0.5173 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.1246 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0177
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1246 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1246 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0092 0.0307
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0092 0.0177
Schistosoma mansoni coup transcription factor 0.001 0.0092 0.0307
Brugia malayi nuclear receptor NHR-88 0.001 0.0092 0.0177
Echinococcus multilocularis Endonuclease G 0.002 0.0558 0.4477
Mycobacterium ulcerans beta-lactamase 0.0035 0.1246 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0092 0.0307
Echinococcus granulosus ectonucleotide 0.0028 0.0935 0.7502
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0092 0.0177
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0092 0.0736
Onchocerca volvulus 0.0035 0.1246 0.399
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0092 0.0177
Echinococcus granulosus FTZ F1 alpha 0.001 0.0092 0.0736
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0177
Schistosoma mansoni nuclear hormone receptor 0.001 0.0092 0.0307
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0092 0.0177
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0072 0.2986 0.5772
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.118 0.3953
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.118 0.3953
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0092 0.0736
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0033 0.118 0.2281
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0028 0.0935 0.7502
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Trichomonas vaginalis esterase, putative 0.0035 0.1246 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1246 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.118 0.3953
Loa Loa (eye worm) hypothetical protein 0.0028 0.0935 0.1808
Brugia malayi beta-lactamase 0.0035 0.1246 0.2409
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1246 0.4174
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1246 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0092 0.0736
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1246 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.118 0.2281
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.5173 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0177
Echinococcus granulosus Endonuclease G 0.002 0.0558 0.4477
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1246 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0092 0.0177
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0092 0.0736
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0092 0.0177
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0092 0.0736
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1246 0.4174
Brugia malayi Thrombospondin type 1 domain containing protein 0.0072 0.2986 0.5772
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0092 0.0736
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Echinococcus multilocularis ectonucleotide 0.0028 0.0935 0.7502
Loa Loa (eye worm) hypothetical protein 0.0033 0.118 0.2281
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0092 0.0177
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1246 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0092 0.0177
Schistosoma mansoni thyroid hormone receptor 0.001 0.0092 0.0307
Schistosoma mansoni endonuclease related 0.002 0.0558 0.1869
Loa Loa (eye worm) hypothetical protein 0.0033 0.118 0.2281
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0177
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1246 0.2409
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0092 0.0177
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1246 1
Onchocerca volvulus 0.0033 0.118 0.3761
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0092 0.0736
Brugia malayi beta-lactamase family protein 0.0035 0.1246 0.2409
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0092 0.0177
Brugia malayi ecdysteroid receptor 0.001 0.0092 0.0177
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0092 0.0307
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0092 0.0177
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0028 0.0935 0.7502
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0092 0.0177
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0092 0.0307
Schistosoma mansoni thyroid hormone receptor 0.001 0.0092 0.0307
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Brugia malayi endonuclease G, mitochondrial precursor 0.002 0.0558 0.1079
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1246 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1246 0.2409
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0092 0.0736
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0092 0.0736
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0092 0.0177
Onchocerca volvulus 0.0035 0.1246 0.399
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0092 0.0307
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0092 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0092 0.0177
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1246 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0092 0.0177
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0092 0.0307
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0092 0.0177
Mycobacterium ulcerans lipase LipD 0.0035 0.1246 0.5
Brugia malayi nuclear hormone receptor 0.001 0.0092 0.0177
Brugia malayi beta-lactamase family protein 0.0035 0.1246 0.2409
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0177
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0092 0.0736
Mycobacterium leprae Probable lipase LipE 0.0035 0.1246 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0092 0.0177
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0092 0.0736
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0092 0.0307
Brugia malayi steroid hormone receptor 0.001 0.0092 0.0177
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.118 0.9469
Loa Loa (eye worm) hypothetical protein 0.0035 0.1246 0.2409
Loa Loa (eye worm) hypothetical protein 0.001 0.0092 0.0177
Toxoplasma gondii ABC1 family protein 0.0035 0.1246 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0092 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0092 0.0177

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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