Detailed information for compound 1363157

Basic information

Technical information
  • TDR Targets ID: 1363157
  • Name: 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N- propan-2-ylbenzenesulfonamide
  • MW: 417.522 | Formula: C21H27N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.78 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NS(=O)(=O)c1ccc(cc1)OCC(=O)N1CCN(CC1)c1ccccc1)C
  • InChi: 1S/C21H27N3O4S/c1-17(2)22-29(26,27)20-10-8-19(9-11-20)28-16-21(25)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,17,22H,12-16H2,1-2H3
  • InChiKey: OHOJXNZTFGGRGP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-isopropyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
  • N-isopropyl-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]benzenesulfonamide
  • N-isopropyl-4-[2-keto-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
  • 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-yl-benzenesulfonamide
  • BAS 06347675
  • N-Isopropyl-4-[2-oxo-2-(4-phenyl-piperazin-1-yl)-ethoxy]-benzenesulfonamide
  • ZINC00801257
  • MLS000716060
  • SMR000277577
  • STK113528

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0303 0.0912
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0194 0.0513
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1006 0.2585
Leishmania major hypothetical protein, conserved 0.0035 0.0197 0.1552
Mycobacterium tuberculosis Conserved protein 0.0035 0.0197 0.0567
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0494 0.0471
Trypanosoma cruzi DNA repair protein, putative 0.0119 0.1291 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.1006 0.253
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0303 0.028
Mycobacterium leprae Probable lipase LipE 0.0035 0.0197 0.1768
Entamoeba histolytica DNA excision repair protein, putative 0.0276 0.3326 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1006 0.2585
Schistosoma mansoni hypothetical protein 0.0043 0.0303 0.0912
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0024 0.0073
Giardia lamblia Kinase, PLK 0.0098 0.1006 1
Echinococcus multilocularis endonuclease III protein 1 0.0037 0.022 0.0197
Loa Loa (eye worm) hypothetical protein 0.0035 0.0197 0.0593
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0197 0.1768
Plasmodium vivax endonuclease III homologue, putative 0.0037 0.022 0.0523
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.1006 0.2974
Brugia malayi PHD-finger family protein 0.0024 0.0054 0.002
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0276 0.3326 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0735 0.2209
Toxoplasma gondii ABC1 family protein 0.0035 0.0197 0.0453
Brugia malayi ERCC4 domain containing protein 0.0196 0.2289 0.8416
Brugia malayi follicle stimulating hormone receptor 0.0229 0.271 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.1006 0.7709
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0197 0.0593
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0197 0.0593
Mycobacterium tuberculosis Conserved protein 0.0035 0.0197 0.0567
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0392 0.4744
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0197 0.0525
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0197 0.0174
Toxoplasma gondii ERCC4 domain-containing protein 0.0196 0.2289 0.6834
Brugia malayi Helix-hairpin-helix motif family protein 0.0157 0.1774 0.6485
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0735 1
Brugia malayi RNA binding protein 0.0061 0.0536 0.1831
Brugia malayi Probable ClpP-like protease 0.0077 0.0735 0.2578
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0392 0.1309
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0194 0.017
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0735 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1006 0.2585
Entamoeba histolytica DNA repair endonuclease, putative 0.0196 0.2289 0.6659
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0366 0.054
Schistosoma mansoni bromodomain containing protein 0.0062 0.054 0.1622
Plasmodium vivax DNA repair endonuclease, putative 0.0196 0.2289 0.6834
Schistosoma mansoni hypothetical protein 0.0024 0.0049 0.0147
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0536 0.1611
Loa Loa (eye worm) hypothetical protein 0.0042 0.0279 0.0837
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0197 0.0453
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0082 0.0101
Trypanosoma cruzi DNA repair protein, putative 0.0119 0.1291 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0536 0.1611
Loa Loa (eye worm) ERCC4 domain-containing protein 0.0024 0.0049 0.0147
Entamoeba histolytica hypothetical protein 0.0043 0.0303 0.0268
Trypanosoma brucei endonuclease III, putative 0.0037 0.022 0.1381
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0536 0.1831
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1006 0.2585
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0197 0.1196
Echinococcus granulosus crossover junction endonuclease mus81 0.0024 0.0049 0.0075
Plasmodium falciparum ERCC1 nucleotide excision repair protein, putative 0.0276 0.3326 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0735 0.2093
Brugia malayi Bromodomain containing protein 0.0037 0.0224 0.0657
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0197 0.0567
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0536 0.0513
Loa Loa (eye worm) helix-hairpin-helix domain-containing protein family protein 0.0276 0.3326 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0634 0.1905
Loa Loa (eye worm) beta-lactamase 0.0035 0.0197 0.0593
Toxoplasma gondii helix-hairpin-helix motif domain-containing protein 0.0037 0.022 0.0523
Brugia malayi beta-lactamase family protein 0.0035 0.0197 0.0558
Echinococcus multilocularis crossover junction endonuclease mus81 0.0024 0.0049 0.0025
Loa Loa (eye worm) ERCC4 domain-containing protein 0.0196 0.2289 0.688
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.1006 0.0984
Brugia malayi beta-lactamase family protein 0.0035 0.0197 0.0558
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1006 0.2585
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1006 0.2585
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0536 0.1611
Trypanosoma brucei DNA repair protein, putative 0.0119 0.1291 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0392 0.1309
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0536 0.1611
Toxoplasma gondii endonuclease III family 1 protein 0.0037 0.022 0.0523
Trypanosoma cruzi endonuclease III, putative 0.0037 0.022 0.1381
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0303 0.0846
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.1006 0.3025
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0536 0.1611
Brugia malayi hypothetical protein 0.0043 0.0303 0.0957
Schistosoma mansoni DNA repair endonuclease xp-f / mei-9 / rad1 0.0196 0.2289 0.688
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0735 0.2093
Brugia malayi TAR-binding protein 0.0061 0.0536 0.1831
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0735 0.0712
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.2668 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.1006 0.3025
Trypanosoma brucei 8-oxoguanine DNA glycosylase, putative 0.0037 0.022 0.1381
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0735 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0197 0.0593
Trypanosoma cruzi 8-oxoguanine DNA glycosylase, putative 0.0037 0.022 0.1381
Trichomonas vaginalis excision repair cross-complementing 1 ercc1, putative 0.0276 0.3326 1
Schistosoma mansoni hypothetical protein 0.0175 0.2012 0.605
Entamoeba histolytica hypothetical protein 0.0043 0.0303 0.0268
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.271 0.8147
Trypanosoma cruzi 8-oxoguanine DNA glycosylase, putative 0.0037 0.022 0.1381
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.1006 0.3598
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0197 0.0558
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0735 1
Brugia malayi Bromodomain containing protein 0.0073 0.0688 0.2402
Mycobacterium ulcerans endonuclease III Nth 0.0037 0.022 0.0427
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0197 0.1196
Toxoplasma gondii hypothetical protein 0.0026 0.0082 0.0101
Brugia malayi beta-lactamase 0.0035 0.0197 0.0558
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0392 0.0368
Brugia malayi Endonuclease III-like protein 1 0.0037 0.022 0.0644
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0366 0.054
Loa Loa (eye worm) hypothetical protein 0.0037 0.0224 0.0675
Loa Loa (eye worm) RNA binding protein 0.0061 0.0536 0.1611
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0276 0.3326 0.331
Mycobacterium tuberculosis Probable adenine glycosylase MutY 0.0037 0.022 0.0655
Treponema pallidum A/G-specific adenine glycosylase 0.0037 0.022 0.2119
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1006 0.2585
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0197 0.0593
Echinococcus multilocularis dna repair endonuclease xpf 0.0196 0.2289 0.227
Echinococcus multilocularis geminin 0.0175 0.2012 0.1993
Schistosoma mansoni DNA glycosylase 0.0037 0.022 0.0662
Echinococcus granulosus tar DNA binding protein 0.0061 0.0536 0.155
Loa Loa (eye worm) hypothetical protein 0.0035 0.0197 0.0593
Mycobacterium tuberculosis Conserved protein 0.0035 0.0197 0.0567
Loa Loa (eye worm) hypothetical protein 0.0035 0.0197 0.0593
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0197 0.0567
Plasmodium falciparum endonuclease III homologue, putative 0.0037 0.022 0.0523
Mycobacterium ulcerans adenine glycosylase MutY 0.0037 0.022 0.0427
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0735 0.2093
Echinococcus granulosus endonuclease III protein 1 0.0037 0.022 0.0594
Loa Loa (eye worm) hypothetical protein 0.0035 0.0197 0.0593
Onchocerca volvulus Endonuclease III homolog 0.0037 0.022 0.0284
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0735 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0197 0.0567
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0392 0.1113
Loa Loa (eye worm) hypothetical protein 0.004 0.0254 0.0765
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.1006 1
Entamoeba histolytica hypothetical protein 0.0043 0.0303 0.0268
Plasmodium vivax ERCC1 nucleotide excision repair protein, putative 0.0276 0.3326 1
Trypanosoma cruzi A/G-specific adenine glycosylase, putative 0.0037 0.022 0.1381
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0735 0.2152
Echinococcus granulosus DNA excision repair protein ERCC 1 0.0276 0.3326 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0082 0.0101
Schistosoma mansoni kinase 0.005 0.0383 0.1151
Loa Loa (eye worm) hypothetical protein 0.0035 0.0197 0.0593
Schistosoma mansoni hypothetical protein 0.0175 0.2012 0.605
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0276 0.3326 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0735 0.2209
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0197 0.0567
Trypanosoma cruzi endonuclease III, putative 0.0037 0.022 0.1381
Plasmodium falciparum DNA repair endonuclease, putative 0.0172 0.1979 0.5888
Echinococcus granulosus geminin 0.0175 0.2012 0.6021
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.0662
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.1006 0.7709
Trichomonas vaginalis nuclease Rad1 0.0196 0.2289 0.6683
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0197 0.0567
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0536 0.1611
Trypanosoma brucei polo-like protein kinase 0.0098 0.1006 0.7709
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0536 0.1611
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0494 0.1424
Echinococcus granulosus dna repair endonuclease xpf 0.0196 0.2289 0.6857
Entamoeba histolytica hypothetical protein 0.0043 0.0303 0.0268
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0735 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.1006 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0197 0.1196
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0735 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0197 0.0567
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0197 0.0567
Schistosoma mansoni endonuclease III 0.0037 0.022 0.0662
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0735 0.2093
Leishmania major endonuclease III, putative 0.0037 0.022 0.1791

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0657 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.4813 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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