Detailed information for compound 889019

Basic information

Technical information
  • TDR Targets ID: 889019
  • Name: 1-(4-ethoxyphenyl)-4-(3-fluorophenyl)sulfonyl piperazine
  • MW: 364.434 | Formula: C18H21FN2O3S
  • H donors: 0 H acceptors: 2 LogP: 3.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)F
  • InChi: 1S/C18H21FN2O3S/c1-2-24-17-8-6-16(7-9-17)20-10-12-21(13-11-20)25(22,23)18-5-3-4-15(19)14-18/h3-9,14H,2,10-13H2,1H3
  • InChiKey: VRBXYVIXUNAUNY-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-ethoxyphenyl)-4-(3-fluorophenyl)sulfonyl-piperazine

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) carboxylesterase 0.0275 0.1436 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0046 0 0.5
Loa Loa (eye worm) cytochrome c type-1 0.0099 0.033 0.2296
Brugia malayi Carboxylesterase family protein 0.0275 0.1436 0.1998
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0184 0.0864 0.6017
Echinococcus multilocularis serotonin receptor 0.008 0.021 0.1465
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.0099 0.033 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0275 0.1436 1
Brugia malayi Telomerase reverse transcriptase 0.119 0.7189 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.0864 0.6017
Trypanosoma brucei telomerase reverse transcriptase 0.0447 0.2519 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0275 0.1436 1
Plasmodium falciparum telomerase reverse transcriptase 0.0447 0.2519 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0447 0.2519 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0447 0.2519 1
Giardia lamblia Telomerase catalytic subunit 0.0447 0.2519 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0447 0.2519 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0046 0 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0184 0.0864 0.1202
Onchocerca volvulus 0.0071 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.008 0.021 0.1465
Schistosoma mansoni biogenic amine (5HT) receptor 0.008 0.021 0.1465
Echinococcus granulosus acetylcholinesterase 0.0275 0.1436 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.1436 1
Echinococcus granulosus carboxylesterase 5A 0.0275 0.1436 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.1436 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0184 0.0864 0.6017
Brugia malayi Thrombospondin type 1 domain containing protein 0.0071 0.0153 0.0213
Echinococcus multilocularis carboxylesterase 5A 0.0275 0.1436 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0071 0.0153 0.1064
Echinococcus granulosus acetylcholinesterase 0.0275 0.1436 1
Schistosoma mansoni amine GPCR 0.0205 0.0998 0.6946
Echinococcus multilocularis acetylcholinesterase 0.0275 0.1436 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0275 0.1436 1
Schistosoma mansoni cytochrome c 0.0099 0.033 0.2296
Echinococcus multilocularis serotonin receptor 0.008 0.021 0.1465
Loa Loa (eye worm) hypothetical protein 0.008 0.021 0.1465
Echinococcus granulosus cytochrome c 0.0099 0.033 0.2296
Brugia malayi Carboxylesterase family protein 0.0275 0.1436 0.1998
Echinococcus multilocularis cytochrome c 0.0099 0.033 0.2296
Toxoplasma gondii RNA-directed DNA polymerase 0.0447 0.2519 1
Brugia malayi Cytochrome c type-1 0.0099 0.033 0.0459
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0 0.5
Schistosoma mansoni hypothetical protein 0.0071 0.0153 0.1064
Echinococcus granulosus biogenic amine 5HT receptor 0.008 0.021 0.1465
Leishmania major telomerase reverse transcriptase, putative 0.0447 0.2519 1

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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