Detailed information for compound 779462

Basic information

Technical information
  • TDR Targets ID: 779462
  • Name: 1-propylsulfonyl-4-[(3,4,5-trimethoxyphenyl)m ethyl]piperazine
  • MW: 372.48 | Formula: C17H28N2O5S
  • H donors: 0 H acceptors: 2 LogP: 1.63 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCS(=O)(=O)N1CCN(CC1)Cc1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C17H28N2O5S/c1-5-10-25(20,21)19-8-6-18(7-9-19)13-14-11-15(22-2)17(24-4)16(12-14)23-3/h11-12H,5-10,13H2,1-4H3
  • InChiKey: KSRVKVLAIUPPAE-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-propylsulfonyl-4-(3,4,5-trimethoxybenzyl)piperazine
  • STK147217
  • 1-(Propane-1-sulfonyl)-4-(3,4,5-trimethoxy-benzyl)-piperazine
  • BAS 03152646
  • Oprea1_834827
  • Oprea1_175197

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
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0177 0.4156 0.5
Schistosoma mansoni malate dehydrogenase 0.0177 0.4156 0.4156
Toxoplasma gondii lactate dehydrogenase LDH1 0.0177 0.4156 1
Schistosoma mansoni L-lactate dehydrogenase 0.0177 0.4156 0.4156
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0355 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0177 0.4156 0.5
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0177 0.4156 0.4156
Echinococcus multilocularis malate dehydrogenase 0.0355 1 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.4852 0.1191
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0177 0.4156 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0177 0.4156 1
Leishmania major malate dehydrogenase, putative 0.0177 0.4156 0.4156
Echinococcus granulosus cytosolic malate dehydrogenase 0.0177 0.4156 0.4156
Schistosoma mansoni L-lactate dehydrogenase 0.0177 0.4156 0.4156
Echinococcus multilocularis lactate dehydrogenase a 0.0177 0.4156 0.4156
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0355 1 1
Echinococcus granulosus malate dehydrogenase 0.0355 1 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0177 0.4156 0.4156
Plasmodium falciparum lactate dehydrogenase, putative 0.0177 0.4156 0.5
Echinococcus granulosus lactate dehydrogenase a 0.0177 0.4156 0.4156
Chlamydia trachomatis malate dehydrogenase 0.0177 0.4156 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Echinococcus multilocularis survival motor neuron protein 1 0.0198 0.4852 0.4852
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0355 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0355 1 1
Plasmodium falciparum malate dehydrogenase 0.0177 0.4156 0.5
Leishmania major malate dehydrogenase 0.0355 1 1
Plasmodium falciparum L-lactate dehydrogenase 0.0177 0.4156 0.5
Toxoplasma gondii malate dehydrogenase MDH 0.0177 0.4156 1
Schistosoma mansoni malate dehydrogenase 0.0177 0.4156 0.4156
Plasmodium vivax lactate dehydrogenase 0.0177 0.4156 0.5
Echinococcus multilocularis malate dehydrogenase 0.0355 1 1
Leishmania major malate dehydrogenase, putative 0.0177 0.4156 0.4156
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Echinococcus granulosus malate dehydrogenase 0.0355 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Loa Loa (eye worm) malate dehydrogenase 0.0355 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0177 0.4156 1
Echinococcus granulosus survival motor neuron protein 1 0.0198 0.4852 0.4852
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Echinococcus granulosus L lactate dehydrogenase B chain 0.0177 0.4156 0.4156
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0177 0.4156 0.5
Leishmania major glycosomal malate dehydrogenase 0.0355 1 1
Entamoeba histolytica malate dehydrogenase, putative 0.0177 0.4156 0.5
Mycobacterium ulcerans malate dehydrogenase 0.0177 0.4156 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Leishmania major mitochondrial malate dehydrogenase 0.0355 1 1
Leishmania major cytosolic malate dehydrogenase 0.0177 0.4156 0.4156
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0177 0.4156 0.4156
Brugia malayi hypothetical protein 0.0198 0.4852 0.1191
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0177 0.4156 0.5
Plasmodium vivax malate dehydrogenase, putative 0.0177 0.4156 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.0177 0.4156 0.4156
Echinococcus multilocularis lactate dehydrogenase a 0.0177 0.4156 0.4156
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0177 0.4156 0.4156
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0355 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0177 0.4156 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0355 1 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0177 0.4156 1
Echinococcus granulosus lactate dehydrogenase a 0.0177 0.4156 0.4156
Echinococcus granulosus lactate dehydrogenase protein 0.0177 0.4156 0.4156
Echinococcus multilocularis lactate dehydrogenase protein 0.0177 0.4156 0.4156
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Schistosoma mansoni malate dehydrogenase 0.0177 0.4156 0.4156
Giardia lamblia Malate dehydrogenase 0.0177 0.4156 0.5
Entamoeba histolytica malate dehydrogenase, putative 0.0177 0.4156 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0177 0.4156 1
Schistosoma mansoni malate dehydrogenase 0.0355 1 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0177 0.4156 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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