Detailed information for compound 686327

Basic information

Technical information
  • TDR Targets ID: 686327
  • Name: 4-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)- 1,1-dioxobenzo[e][1,2,4]thiadiazin-3-one
  • MW: 426.916 | Formula: C22H19ClN2O3S
  • H donors: 0 H acceptors: 3 LogP: 4.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)N1C(=O)N(Cc2ccccc2Cl)c2c(S1(=O)=O)cccc2
  • InChi: 1S/C22H19ClN2O3S/c1-2-16-11-13-18(14-12-16)25-22(26)24(15-17-7-3-4-8-19(17)23)20-9-5-6-10-21(20)29(25,27)28/h3-14H,2,15H2,1H3
  • InChiKey: HGBVIJFUWDKJTD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-1,1-dioxo-benzo[e][1,2,4]thiadiazin-3-one
  • 4-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-1,1-dioxo-3-benzo[e][1,2,4]thiadiazinone
  • 4-(2-chlorobenzyl)-2-(4-ethylphenyl)-1,1-diketo-benzo[e][1,2,4]thiadiazin-3-one

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 hypothetical protein 0.002 0.0374 0.0058
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1047 0.5
Schistosoma mansoni hypothetical protein 0.0174 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2904 0.3976
Brugia malayi MH2 domain containing protein 0.0123 0.6794 1
Loa Loa (eye worm) RNA binding protein 0.0071 0.3594 0.5045
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.6794 1
Echinococcus granulosus tar DNA binding protein 0.0071 0.3594 0.3594
Schistosoma mansoni hypothetical protein 0.0174 1 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3594 0.3594
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0337 0.0337
Schistosoma mansoni hypothetical protein 0.0019 0.0337 0.0337
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2904 0.3976
Brugia malayi RNA binding protein 0.0071 0.3594 0.5045
Schistosoma mansoni hypothetical protein 0.0019 0.0337 0.0337
Loa Loa (eye worm) TAR-binding protein 0.0071 0.3594 0.5045
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1047 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3594 0.3594
Schistosoma mansoni hypothetical protein 0.0019 0.0337 0.0337
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3594 0.3594
Echinococcus granulosus GPCR family 2 0.0019 0.0337 0.0337
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1047 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0337 0.0337
Brugia malayi TAR-binding protein 0.0071 0.3594 0.5045
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3594 0.3594
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0041 0.1716 0.2136
Echinococcus multilocularis tar DNA binding protein 0.0071 0.3594 0.3594
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0337 0.0337
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1047 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1716 0.1716
Loa Loa (eye worm) hypothetical protein 0.003 0.1047 0.1101
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0337 0.0337
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.3594 0.5045
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.6794 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1047 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1716 0.2136
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3594 0.3594
Brugia malayi hypothetical protein 0.003 0.1047 0.1101
Loa Loa (eye worm) hypothetical protein 0.006 0.2904 0.3976
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1047 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1047 0.5
Echinococcus multilocularis geminin 0.0174 1 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0337 0.0337
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.3594 0.5045
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2904 0.3976
Leishmania major hypothetical protein, conserved 0.003 0.1047 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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