Detailed information for compound 759432

Basic information

Technical information
  • TDR Targets ID: 759432
  • Name: 1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)s ulfonylpiperazine
  • MW: 395.861 | Formula: C17H18ClN3O4S
  • H donors: 0 H acceptors: 4 LogP: 2.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H18ClN3O4S/c18-15-3-1-2-14(12-15)13-19-8-10-20(11-9-19)26(24,25)17-6-4-16(5-7-17)21(22)23/h1-7,12H,8-11,13H2
  • InChiKey: WIYBMMXLBGGXJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine
  • 1-(3-chlorobenzyl)-4-(4-nitrophenyl)sulfonyl-piperazine
  • STK147084
  • Oprea1_838837

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
Schistosoma mansoni alpha-glucosidase 0.0141 0.1865 0.1726
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.05 0.0337
Schistosoma mansoni hypothetical protein 0.0039 0.0432 0.0268
Trypanosoma brucei glucosidase, putative 0.0036 0.0393 0.0999
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0057 0.0683 0.1904
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0683 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0271 0.062
Schistosoma mansoni hypothetical protein 0.0039 0.0432 0.0268
Trypanosoma brucei oligopeptidase b 0.0057 0.0683 0.1904
Trypanosoma cruzi prolyl endopeptidase 0.0057 0.0683 0.1904
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.1212 0.121
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.2186 0.2185
Echinococcus multilocularis GTP binding nuclear protein Ran 0.002 0.0168 0.0167
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0452 0.0451
Trypanosoma cruzi oligopeptidase b 0.0057 0.0683 0.1904
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0452 0.6221
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0057 0.0683 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.1212 0.1212
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0242 0.3283 1
Onchocerca volvulus 0.0095 0.1214 0.1151
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0242 0.3283 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0393 0.5247
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0057 0.0683 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.072 1 1
Schistosoma mansoni importin beta-1 0.0028 0.0271 0.0105
Echinococcus granulosus acylamino acid releasing enzyme 0.0057 0.0683 0.0682
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0242 0.3283 0.3282
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0705 0.0546
Brugia malayi prolyl oligopeptidase family protein 0.0242 0.3283 0.3283
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0271 0.027
Entamoeba histolytica Ran family GTPase 0.002 0.0168 0.0845
Brugia malayi RNA, U transporter 1 0.0079 0.0989 0.0989
Giardia lamblia Alanyl dipeptidyl peptidase 0.0057 0.0683 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0057 0.0683 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0057 0.0683 0.5365
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0057 0.0683 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.0432 0.0268
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0057 0.0683 1
Onchocerca volvulus 0.0028 0.027 0.0199
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0393 0.2815
Loa Loa (eye worm) hypothetical protein 0.0014 0.0072 0.007
Schistosoma mansoni alpha glucosidase 0.0036 0.0393 0.0228
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0393 0.5247
Echinococcus granulosus microtubule associated protein 2 0.0694 0.9642 0.9642
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0393 0.0391
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0452 0.0451
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.002 0.0168 0.03
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0057 0.0683 0.1654
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.027 0.0268
Loa Loa (eye worm) hypothetical protein 0.0028 0.0271 0.027
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0057 0.0683 0.5365
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0242 0.3283 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0242 0.3283 0.3282
Trichomonas vaginalis importin beta-1, putative 0.0022 0.0197 0.2052
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0393 0.5247
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.2186 0.2186
Echinococcus granulosus dnaJ subfamily B 0.0393 0.5408 0.5408
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0393 0.5247
Loa Loa (eye worm) hypothetical protein 0.0057 0.0683 0.0682
Brugia malayi prolyl oligopeptidase family protein 0.0057 0.0683 0.0683
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0242 0.3283 0.3168
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0057 0.0683 0.1904
Plasmodium vivax importin-beta 2, putative 0.0028 0.0271 0.1997
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0242 0.3283 1
Echinococcus granulosus Niemann Pick C1 protein 0.0135 0.1783 0.1781
Trypanosoma brucei prolyl endopeptidase 0.0057 0.0683 0.1904
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.072 1 1
Echinococcus granulosus expressed conserved protein 0.0089 0.1131 0.113
Loa Loa (eye worm) prolyl oligopeptidase 0.0057 0.0683 0.0682
Brugia malayi Importin beta-1 subunit 0.0028 0.0271 0.0271
Mycobacterium tuberculosis Probable peptidase 0.0057 0.0683 0.5
Leishmania major GTP-binding protein, putative 0.002 0.0168 0.03
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.2186 0.2185
Echinococcus granulosus prolyl endopeptidase 0.0057 0.0683 0.0682
Echinococcus multilocularis protein dispatched 1 0.0046 0.0533 0.0532
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.072 1 1
Echinococcus multilocularis expressed conserved protein 0.0089 0.1131 0.113
Echinococcus multilocularis Niemann Pick C1 protein 0.0135 0.1783 0.1781
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0057 0.0683 0.1904
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0242 0.3283 1
Leishmania major importin beta-1 subunit, putative 0.0022 0.0197 0.0391
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0452 0.0451
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0393 0.5247
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.05 0.0498
Echinococcus multilocularis dnaJ subfamily B 0.0393 0.5408 0.5408
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0271 0.062
Brugia malayi CHE-14 protein 0.0041 0.0452 0.0452
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.072 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0694 0.9642 0.9642
Entamoeba histolytica hypothetical protein, conserved 0.0057 0.0683 0.5365
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.072 1 1
Entamoeba histolytica hypothetical protein 0.0022 0.0197 0.1101
Entamoeba histolytica prolyl oligopeptidase family protein 0.0057 0.0683 0.5365
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0057 0.0683 0.5
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.002 0.0168 0.0167
Leishmania major oligopeptidase b 0.0057 0.0683 0.1904
Echinococcus multilocularis snurportin 1 0.0296 0.4041 0.404
Trypanosoma brucei prolyl oligopeptidase, putative 0.0057 0.0683 0.1904
Loa Loa (eye worm) hypothetical protein 0.0185 0.2481 0.248
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0057 0.0683 0.0524
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0296 0.4041 0.404
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0393 0.0999
Plasmodium vivax hypothetical protein, conserved 0.0057 0.0683 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.2186 0.2185
Loa Loa (eye worm) hypothetical protein 0.0041 0.0452 0.0451
Echinococcus granulosus cpg binding protein 0.0029 0.0292 0.029
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.002 0.0168 0.03
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0057 0.0683 0.0524
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0683 0.1904
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0393 0.0721
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.05 0.0498
Plasmodium falciparum peptidase, putative 0.0057 0.0683 1
Echinococcus multilocularis prolyl endopeptidase 0.0057 0.0683 0.0682
Brugia malayi hypothetical protein 0.0185 0.2481 0.2481
Echinococcus multilocularis cpg binding protein 0.0029 0.0292 0.029
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0683 0.1904
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0022 0.0197 0.2052
Brugia malayi CXXC zinc finger family protein 0.0028 0.027 0.027
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0393 0.5247
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.05 0.0498
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.1212 0.121
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0393 0.0999
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.05 0.0498
Schistosoma mansoni hypothetical protein 0.0393 0.5408 0.533
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0393 0.2815
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0271 0.033
Schistosoma mansoni hypothetical protein 0.0039 0.0432 0.0268
Echinococcus multilocularis protein patched 0.0041 0.0452 0.0451
Trypanosoma cruzi importin beta-1 subunit, putative 0.0022 0.0197 0.0391
Loa Loa (eye worm) hypothetical protein 0.0095 0.1212 0.121
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0057 0.0683 0.0524
Trichomonas vaginalis ran, putative 0.002 0.0168 0.1575
Schistosoma mansoni hypothetical protein 0.0296 0.4041 0.3939
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0393 0.0999
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0452 0.0451
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0057 0.0683 0.1904
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0057 0.0683 0.5365
Loa Loa (eye worm) hypothetical protein 0.0057 0.0683 0.0682
Toxoplasma gondii hypothetical protein 0.0057 0.0683 0.1654
Toxoplasma gondii prolyl endopeptidase 0.0057 0.0683 0.1654
Schistosoma mansoni cpg binding protein 0.0028 0.027 0.0103
Schistosoma mansoni alpha-glucosidase 0.0141 0.1865 0.1726
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.05 0.0498
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0393 0.5247
Schistosoma mansoni cpg binding protein 0.0029 0.0292 0.0126
Entamoeba histolytica prolyl oligopeptidase family protein 0.0057 0.0683 0.5365
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0072 0.0072
Toxoplasma gondii histone lysine methyltransferase SET1 0.0052 0.0617 0.144
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0242 0.3283 1
Schistosoma mansoni microtubule-associated protein tau 0.0694 0.9642 0.9635
Loa Loa (eye worm) hypothetical protein 0.005 0.0581 0.0579
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.05 0.0337
Brugia malayi prolyl oligopeptidase family protein 0.0057 0.0683 0.0683
Plasmodium falciparum importin beta, putative 0.0028 0.0271 0.1997
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0022 0.0197 0.2052
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0057 0.0683 0.1904
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0393 0.5247
Brugia malayi prolyl oligopeptidase family protein 0.0057 0.0683 0.0683
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.1212 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0393 0.0391
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.05 0.05
Trypanosoma cruzi oligopeptidase b 0.0057 0.0683 0.1904
Loa Loa (eye worm) hypothetical protein 0.0057 0.0683 0.0682
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0393 0.0391
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0393 0.5247
Echinococcus granulosus importin subunit beta 1 0.0028 0.0271 0.027
Echinococcus granulosus GTP binding nuclear protein Ran 0.002 0.0168 0.0167
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0096 0.1232 0.1082
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0057 0.0683 0.1904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.05 0.0337
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.002 0.0168 0.0168
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.2186 0.2185
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0393 0.0393
Echinococcus granulosus snurportin 1 0.0296 0.4041 0.404
Schistosoma mansoni patched 1 0.0041 0.0452 0.0289
Echinococcus multilocularis acylamino acid releasing enzyme 0.0057 0.0683 0.0682
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.002 0.0168 0.03
Onchocerca volvulus Prolyl endopeptidase homolog 0.0057 0.0683 0.0616
Schistosoma mansoni cpg binding protein 0.0029 0.0292 0.0126
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0057 0.0683 0.0524

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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