Detailed information for compound 846245

Basic information

Technical information
  • TDR Targets ID: 846245
  • Name: 6-chloro-4-(4-ethylpiperazin-1-yl)-3-(4-methy lphenyl)sulfonylquinoline
  • MW: 429.963 | Formula: C22H24ClN3O2S
  • H donors: 0 H acceptors: 3 LogP: 4.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)c1c2cc(Cl)ccc2ncc1S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C22H24ClN3O2S/c1-3-25-10-12-26(13-11-25)22-19-14-17(23)6-9-20(19)24-15-21(22)29(27,28)18-7-4-16(2)5-8-18/h4-9,14-15H,3,10-13H2,1-2H3
  • InChiKey: FOJPGUZMTLNTDS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-4-(4-ethylpiperazin-1-yl)-3-(4-methylphenyl)sulfonyl-quinoline
  • 6-chloro-4-(4-ethyl-1-piperazinyl)-3-(4-methylphenyl)sulfonylquinoline

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 0.0151 0.1083 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0149 0.1062 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.0196 0.0878
Schistosoma mansoni carbonic anhydrase 0.0055 0.0196 0.0878
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0149 0.1062 0.9813
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0055 0.0196 0.1813
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0055 0.0196 0.1813
Echinococcus multilocularis geminin 0.017 0.1252 1
Trichomonas vaginalis conserved hypothetical protein 0.1117 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1117 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0146 0.1348
Echinococcus granulosus carbonic anhydrase II 0.0149 0.1062 0.8202
Plasmodium falciparum carbonic anhydrase 0.0055 0.0196 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0146 0.1348
Loa Loa (eye worm) hypothetical protein 0.005 0.0146 0.1348
Schistosoma mansoni hypothetical protein 0.017 0.1252 0.5599
Echinococcus multilocularis carbonic anhydrase II 0.0149 0.1062 0.8202
Toxoplasma gondii hypothetical protein 0.0055 0.0196 0.5
Onchocerca volvulus 0.0204 0.1565 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0149 0.1062 0.475
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0383 0.3217 0.3016
Onchocerca volvulus Putative sulfate transporter 0.0204 0.1565 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0235 0.1856 0.1263
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.097 0.8639 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0789 0.7289
Loa Loa (eye worm) hypothetical protein 0.0151 0.1083 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0149 0.1062 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0149 0.1062 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0055 0.0196 0.0878
Schistosoma mansoni hypothetical protein 0.017 0.1252 0.5599
Leishmania major carbonic anhydrase family protein, putative 0.0276 0.2237 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0196 0.1813
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0149 0.1062 0.9813
Loa Loa (eye worm) hypothetical protein 0.0055 0.0196 0.1813
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0146 0.1348
Schistosoma mansoni carbonic anhydrase-related 0.0055 0.0196 0.0878
Loa Loa (eye worm) carbonic anhydrase 3 0.0149 0.1062 0.9813
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0789 0.7289
Brugia malayi MH2 domain containing protein 0.012 0.0789 0.7289
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0055 0.0196 0.1813
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0055 0.0196 0.1813
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0149 0.1062 0.475
Schistosoma mansoni carbonic anhydrase 0.0276 0.2237 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0276 0.2237 1
Schistosoma mansoni carbonic anhydrase-related 0.0055 0.0196 0.0878
Loa Loa (eye worm) hypothetical protein 0.0055 0.0196 0.1813
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0055 0.0196 0.1813
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0055 0.0196 0.1813
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0149 0.1062 0.9813
Echinococcus granulosus geminin 0.017 0.1252 1
Entamoeba histolytica carbonic anhydrase, putative 0.0276 0.2237 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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