Detailed information for compound 1542053

Basic information

Technical information
  • TDR Targets ID: 1542053
  • Name: 1,4-bis(phenylsulfonyl)piperazine
  • MW: 366.455 | Formula: C16H18N2O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][S+](=O)(c1ccccc1)N1CCN(CC1)[S+](=O)(c1ccccc1)[O-]
  • InChi: 1S/C16H18N2O4S2/c19-23(20,15-7-3-1-4-8-15)17-11-13-18(14-12-17)24(21,22)16-9-5-2-6-10-16/h1-10H,11-14H2
  • InChiKey: JUQZKAOPUODWFG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7250-99-9
  • NSC19585
  • EU-0068829
  • ST5269894
  • Oprea1_387006
  • IFLab1_000288
  • NSC30402
  • IDI1_008507
  • Oprea1_497706
  • 1,4-Bis-benzenesulfonyl-piperazine
  • BAS 03152768
  • ZINC00633534

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
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0051 0.0829 0.5
Echinococcus granulosus caspase 3 0.0072 0.1755 0.1362
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6459 0.6139
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.6053 0.5697
Schistosoma mansoni caspase-3 (C14 family) 0.0098 0.2934 0.7301
Onchocerca volvulus Glucosylceramidase homolog 0.0167 0.6053 0.5
Echinococcus multilocularis caspase 3 0.0072 0.1755 0.1362
Schistosoma mansoni caspase-7 (C14 family) 0.0098 0.2934 0.7301
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0255 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.6053 0.5697
Loa Loa (eye worm) hypothetical protein 0.0202 0.7626 0.7626
Echinococcus granulosus caspase 0.0098 0.2934 0.3098
Schistosoma mansoni hypothetical protein 0.0087 0.2436 0.5572
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.6053 0.5697
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0051 0.0829 0.5
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0051 0.0829 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0255 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0829 0.0829
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0098 0.2934 0.3098
Echinococcus multilocularis caspase 0.0098 0.2934 0.3098
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.6053 0.5697
Toxoplasma gondii hypothetical protein 0.0115 0.3713 0.5
Schistosoma mansoni hypothetical protein 0.0087 0.2436 0.5572
Trichomonas vaginalis glucosylceramidase, putative 0.0255 1 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0051 0.0829 0.5
Brugia malayi Hypothetical WD-repeat protein F35G12.4 in chromosome III 0.0202 0.7626 0.7626
Schistosoma mansoni hypothetical protein 0.0115 0.3713 1
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.6053 0.5697
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0051 0.0829 0.0829
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0051 0.0829 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0255 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.6053 0.5697
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0098 0.2934 0.3098
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0051 0.0829 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6459 0.6139
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.6053 0.5697
Echinococcus granulosus WD repeat containing protein 48 0.0202 0.7626 1
Echinococcus multilocularis WD repeat containing protein 48 0.0202 0.7626 1
Trichomonas vaginalis glucosylceramidase, putative 0.0255 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0255 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0255 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.14 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation in HepG2 cytotox. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Giardia lamblia

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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