Detailed information for compound 1374555

Basic information

Technical information
  • TDR Targets ID: 1374555
  • Name: ethyl 4-(4-ethoxyphenyl)sulfonylpiperazine-1- carboxylate
  • MW: 342.411 | Formula: C15H22N2O5S
  • H donors: 0 H acceptors: 3 LogP: 1.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCC
  • InChi: 1S/C15H22N2O5S/c1-3-21-13-5-7-14(8-6-13)23(19,20)17-11-9-16(10-12-17)15(18)22-4-2/h5-8H,3-4,9-12H2,1-2H3
  • InChiKey: GUVOARYYPAWPHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-ethoxyphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester
  • 4-(4-ethoxyphenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester
  • ST066574
  • SMR000124331
  • ZINC00617033
  • MLS000123822
  • 4-(4-Ethoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
  • BAS 06739682

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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 0.0016 0.0293 0.0293
Entamoeba histolytica protein kinase, putative 0.0148 0.5048 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0019 0.04 0.04
Echinococcus multilocularis cyclin dependent kinase 5 0.009 0.2954 0.2954
Echinococcus granulosus roundabout 2 0.0016 0.0293 0.0293
Echinococcus multilocularis roundabout 2 0.0016 0.0293 0.0293
Brugia malayi Immunoglobulin I-set domain containing protein 0.0019 0.04 0.04
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0148 0.5048 0.5048
Echinococcus granulosus defective proboscis extension response 0.0016 0.0293 0.0293
Trypanosoma cruzi cdc2-related kinase 1 0.009 0.2954 0.5
Brugia malayi Protein kinase domain containing protein 0.0148 0.5048 0.5048
Brugia malayi cell division control protein 2 homolog 0.009 0.2954 0.2954
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0016 0.0293 0.058
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.009 0.2954 0.2954
Echinococcus multilocularis neuroglian 0.0016 0.0293 0.0293
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.009 0.2954 0.5852
Schistosoma mansoni cell adhesion molecule 0.0016 0.0293 0.058
Trypanosoma brucei cdc2-related kinase 1 0.009 0.2954 0.5
Trichomonas vaginalis AGC family protein kinase 0.0148 0.5048 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Echinococcus granulosus tyrosine protein kinase Lyn 0.0011 0.0085 0.0085
Onchocerca volvulus 0.0058 0.1802 1
Echinococcus granulosus cyclin dependent kinase 0.009 0.2954 0.2954
Echinococcus granulosus Immunoglobulin 0.0016 0.0293 0.0293
Brugia malayi phosphoinositide-dependent protein kinase I 0.0148 0.5048 0.5048
Brugia malayi Protein kinase domain containing protein 0.009 0.2954 0.2954
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.009 0.2954 0.2954
Schistosoma mansoni serine/threonine protein kinase 0.009 0.2954 0.5852
Echinococcus multilocularis cyclin dependent kinase 0.009 0.2954 0.2954
Schistosoma mansoni nephrin 0.0016 0.0293 0.058
Loa Loa (eye worm) hypothetical protein 0.0088 0.287 0.287
Schistosoma mansoni serine/threonine protein kinase 0.0148 0.5048 1
Giardia lamblia Kinase, CMGC CDK 0.009 0.2954 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.1802 0.3569
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Trypanosoma cruzi cdc2-related kinase 3 0.009 0.2954 0.5
Echinococcus multilocularis cyclin dependent kinase 1 0.009 0.2954 0.2954
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Echinococcus granulosus cyclin dependent kinase 1 0.009 0.2954 0.2954
Schistosoma mansoni vesicular amine transporter 0.0016 0.0293 0.058
Echinococcus multilocularis Immunoglobulin 0.0016 0.0293 0.0293
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0016 0.0293 0.0293
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0293 0.0293
Schistosoma mansoni serine/threonine protein kinase 0.009 0.2954 0.5852
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0016 0.0293 0.058
Plasmodium vivax protein kinase Crk2 0.009 0.2954 0.5
Trypanosoma brucei cdc2-related kinase 3 0.009 0.2954 0.5
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0148 0.5048 0.5048
Giardia lamblia Kinase, CMGC CDK 0.009 0.2954 0.5
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0148 0.5048 0.5048
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0016 0.0293 0.0293
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.009 0.2954 0.5
Trypanosoma cruzi cdc2-related kinase 3 0.009 0.2954 0.5
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0148 0.5048 0.5048
Echinococcus multilocularis cyclin dependent kinase 1 0.009 0.2954 0.2954
Echinococcus granulosus neuroglian 0.0016 0.0293 0.0293
Brugia malayi Fibronectin type III domain containing protein 0.0016 0.0293 0.0293
Plasmodium falciparum protein kinase 5 0.009 0.2954 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.009 0.2954 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.1802 0.3569
Trichomonas vaginalis AGC family protein kinase 0.0148 0.5048 1
Echinococcus granulosus cyclin dependent kinase 5 0.009 0.2954 0.2954
Trichomonas vaginalis AGC family protein kinase 0.0148 0.5048 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Echinococcus granulosus twitchin 0.0019 0.0377 0.0377
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1802 0.1802
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.009 0.2954 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Loa Loa (eye worm) hypothetical protein 0.0016 0.0293 0.0293
Echinococcus multilocularis Immunoglobulin 0.0016 0.0293 0.0293
Trypanosoma cruzi cdc2-related kinase 1 0.009 0.2954 0.5
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.009 0.2954 0.2954
Entamoeba histolytica cell division protein kinase 2, putative 0.009 0.2954 0.5852
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.009 0.2954 0.2954

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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