Detailed information for compound 1475636

Basic information

Technical information
  • TDR Targets ID: 1475636
  • Name: N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4 -methylphenyl)methanesulfonamide
  • MW: 339.453 | Formula: C16H25N3O3S
  • H donors: 0 H acceptors: 3 LogP: 1.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(=O)CN(S(=O)(=O)C)c1ccc(cc1)C
  • InChi: 1S/C16H25N3O3S/c1-4-17-9-11-18(12-10-17)16(20)13-19(23(3,21)22)15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3
  • InChiKey: NNPNUGMJUGLSSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-N-(4-methylphenyl)methanesulfonamide
  • N-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide
  • N-[2-(4-ethylpiperazin-1-yl)-2-keto-ethyl]-N-(4-methylphenyl)methanesulfonamide
  • BAS 08193745
  • STK195791
  • SMR000014803
  • N-[2-(4-Ethyl-piperazin-1-yl)-2-oxo-ethyl]-N-p-tolyl-methanesulfonamide
  • MLS000070984

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 steroid hormone receptor 0.001 0.0255 0.0255
Brugia malayi ecdysteroid receptor 0.001 0.0255 0.0255
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0978 0.5
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0255 0.0255
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0255 0.0255
Brugia malayi hypothetical protein 0.0005 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.1488 0.1488
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1954 0.1954
Brugia malayi Animal haem peroxidase family protein 0.0207 1 1
Onchocerca volvulus Peroxidasin homolog 0.0207 1 1
Schistosoma mansoni cpg binding protein 0.0029 0.122 0.122
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Onchocerca volvulus Peroxidase homolog 0.0207 1 1
Brugia malayi RNA binding protein 0.0061 0.2794 0.2794
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0255 0.0255
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2794 0.2794
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0005 0.0027 0.0027
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0255 0.0255
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0082 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0255 0.0255
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1488 0.1488
Loa Loa (eye worm) TAR-binding protein 0.0061 0.2794 0.2794
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0255 0.0255
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0082 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0255 0.0255
Schistosoma mansoni peroxidasin 0.0207 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.1142 0.1142
Schistosoma mansoni hypothetical protein 0.0011 0.0313 0.0313
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1954 0.1954
Loa Loa (eye worm) animal heme peroxidase 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0027 0.0027
Brugia malayi Peroxidasin 0.0207 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1954 0.1954
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0255
Brugia malayi hypothetical protein 0.0016 0.0551 0.0551
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0027 0.0027
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.2794 0.2794
Schistosoma mansoni cpg binding protein 0.0028 0.1142 0.1142
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0255 0.0255
Loa Loa (eye worm) RNA binding protein 0.0061 0.2794 0.2794
Schistosoma mansoni coup transcription factor 0.001 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0255 0.0255
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0978 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0255 0.0255
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0255 0.0255
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0112 0.0112
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1954 0.1954
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.2678 0.2678
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0027 0.0027
Brugia malayi nuclear receptor NHR-88 0.001 0.0255 0.0255
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0255 0.0255
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0255 0.0255
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.1142 0.1142
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0255 0.0255
Schistosoma mansoni nuclear hormone receptor 0.001 0.0255 0.0255
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0255 0.0255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0255 0.0255
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0112 0.0112
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0978 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1954 0.1954
Onchocerca volvulus 0.0207 1 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0255 0.0255
Schistosoma mansoni thyroid hormone receptor 0.001 0.0255 0.0255
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0255 0.0255
Loa Loa (eye worm) animal heme peroxidase 0.0207 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0313 0.0313
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2794 0.2794
Loa Loa (eye worm) hypothetical protein 0.0005 0.0027 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0082 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0255 0.0255
Entamoeba histolytica hypothetical protein 0.0035 0.1488 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2794 0.2794
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0978 0.5
Schistosoma mansoni cpg binding protein 0.0029 0.122 0.122
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0255
Entamoeba histolytica hypothetical protein 0.0035 0.1488 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2794 0.2794
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0255 0.0255
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0978 0.5
Brugia malayi Animal haem peroxidase family protein 0.0207 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.2794 0.2794
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2794 0.2794
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0082 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.019 0.019
Echinococcus granulosus peroxidasin 0.0207 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0082 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0255 0.0255
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1954 0.1954
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0255 0.0255
Brugia malayi nuclear hormone receptor 0.001 0.0255 0.0255
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0112 0.0112
Brugia malayi Animal haem peroxidase family protein 0.0207 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0255 0.0255
Entamoeba histolytica hypothetical protein 0.0035 0.1488 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0112 0.0112
Trichomonas vaginalis helicase, putative 0.0006 0.0082 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0255 0.0255
Entamoeba histolytica hypothetical protein 0.0035 0.1488 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0027 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0255
Echinococcus granulosus tar DNA binding protein 0.0061 0.2794 0.2794
Brugia malayi hypothetical protein 0.0005 0.0027 0.0027
Loa Loa (eye worm) blistered cuticle protein 3 0.0207 1 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Brugia malayi Animal haem peroxidase family protein 0.0207 1 1
Brugia malayi Animal haem peroxidase family protein 0.0207 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0207 1 1
Onchocerca volvulus 0.0028 0.1142 0.1142
Leishmania major hypothetical protein, conserved 0.0024 0.0978 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1954 0.1954
Brugia malayi hypothetical protein 0.0024 0.0978 0.0978
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1954 0.1954
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0255 0.0255
Schistosoma mansoni thyroid hormone receptor 0.001 0.0255 0.0255
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0255 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0255 0.0255
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0255 0.0255
Onchocerca volvulus Dual oxidase homolog 0.0207 1 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0255 0.0255
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0196 0.0196
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0255 0.0255
Echinococcus granulosus FTZ F1 alpha 0.001 0.0255 0.0255
Onchocerca volvulus Peroxidase homolog 0.0207 1 1
Onchocerca volvulus Peroxidasin homolog 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Onchocerca volvulus 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0027 0.0027
Echinococcus multilocularis cpg binding protein 0.0029 0.122 0.122
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0255
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0255 0.0255
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Schistosoma mansoni peroxidasin 0.0207 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0255 0.0255
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.2368 1
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0027 0.0027
Echinococcus multilocularis tar DNA binding protein 0.0061 0.2794 0.2794
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0255 0.0255
Brugia malayi nuclear receptor RXR 0.0005 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0024 0.0978 0.0978
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Echinococcus granulosus cpg binding protein 0.0029 0.122 0.122
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0255 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0255 0.0255
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0082 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0255 0.0255
Brugia malayi TAR-binding protein 0.0061 0.2794 0.2794
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0255 0.0255
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0255 0.0255
Loa Loa (eye worm) animal heme peroxidase 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0255
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0027 0.0027
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0255 0.0255
Brugia malayi Blistered cuticle protein 3 0.0207 1 1
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0082 0.5
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0255 0.0255
Echinococcus multilocularis peroxidasin 0.0207 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0255 0.0255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0255 0.0255
Onchocerca volvulus 0.001 0.0255 0.0255
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0255 0.0255
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0255 0.0255
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0255 0.0255
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0005 0.0027 0.0027
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0255 0.0255
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0255 0.0255
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0255 0.0255
Brugia malayi hypothetical protein 0.0035 0.1488 0.1488
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1954 0.1954
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1488 0.1488
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0978 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1488 0.1488
Onchocerca volvulus Chorion peroxidase homolog 0.0207 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0082 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.001 0.0255 0.0255
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0082 0.5
Onchocerca volvulus 0.0207 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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