Detailed information for compound 657641

Basic information

Technical information
  • TDR Targets ID: 657641
  • Name: 1,4-bis[(4-chlorophenyl)sulfonyl]-2-methylpip erazine
  • MW: 449.372 | Formula: C17H18Cl2N2O4S2
  • H donors: 0 H acceptors: 4 LogP: 3.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)N1CCN(C(C1)C)S(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C17H18Cl2N2O4S2/c1-13-12-20(26(22,23)16-6-2-14(18)3-7-16)10-11-21(13)27(24,25)17-8-4-15(19)5-9-17/h2-9,13H,10-12H2,1H3
  • InChiKey: AYWCGUONKJDNTG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,4-bis[(4-chlorophenyl)sulfonyl]-2-methyl-piperazine
  • A2156/0090556
  • IFLab1_003831
  • Oprea1_537046
  • IDI1_009938

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
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0159 0.0638 0.0584
Echinococcus multilocularis thioredoxin glutathione reductase 0.0094 0.0333 0.0295
Loa Loa (eye worm) hypothetical protein 0.0036 0.0057 0.0496
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0195 0.0155
Mycobacterium ulcerans hypothetical protein 0.0036 0.0057 0.0016
Brugia malayi MH2 domain containing protein 0.0122 0.0465 0.479
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0195 0.1935
Mycobacterium ulcerans TetR family transcriptional regulator 0.2136 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0057 0.0016
Mycobacterium tuberculosis Probable reductase 0.0215 0.0906 0.0871
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0104 0.0379 0.034
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.024 0.102 0.0985
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0159 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0057 0.0496
Plasmodium falciparum glutathione reductase 0.0094 0.0333 0.5158
Echinococcus granulosus tar DNA binding protein 0.0065 0.0195 0.0155
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0195 0.0155
Loa Loa (eye worm) hypothetical protein 0.0036 0.0057 0.0496
Echinococcus multilocularis peptidase Clp (S14 family) 0.0104 0.0379 0.0341
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0041 0.0989
Entamoeba histolytica hypothetical protein 0.0035 0.0051 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0195 0.0155
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0041 0.0989
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.0976 0.094
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0041 0.051
Schistosoma mansoni microtubule-associated protein tau 0.2127 0.9959 1
Brugia malayi TAR-binding protein 0.0065 0.0195 0.2011
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0195 0.2011
Schistosoma mansoni thyroid hormone receptor 0.014 0.0549 0.0512
Trichomonas vaginalis esterase, putative 0.0036 0.0057 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0129 0.1332
Brugia malayi hypothetical protein 0.0229 0.097 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0057 0.1469
Loa Loa (eye worm) beta-lactamase 0.0036 0.0057 0.0496
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.05 0.0463
Mycobacterium ulcerans beta-lactamase 0.0036 0.0057 0.0016
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0041 0.0989
Loa Loa (eye worm) hypothetical protein 0.0036 0.0057 0.0496
Loa Loa (eye worm) hypothetical protein 0.0229 0.097 1
Brugia malayi hypothetical protein 0.0026 0.0009 0.0093
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0104 0.0379 0.034
Loa Loa (eye worm) hypothetical protein 0.0102 0.0368 0.374
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0041 0.051
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0041 0.0989
Brugia malayi RNA binding protein 0.0065 0.0195 0.2011
Plasmodium vivax thioredoxin reductase, putative 0.0094 0.0333 0.5158
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0057 0.0496
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0041 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0057 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0057 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0057 0.0016
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0057 0.0016
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0057 0.1469
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0195 0.1935
Echinococcus granulosus microtubule associated protein 2 0.2127 0.9959 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0057 0.1469
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0041 0.0989
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0055 0.0145 0.1743
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0129 0.1251
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0041 0.051
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0041 0.0989
Loa Loa (eye worm) hypothetical protein 0.0159 0.0638 0.6544
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0159 0.0638 1
Mycobacterium ulcerans transcriptional regulator 0.2136 1 1
Toxoplasma gondii thioredoxin reductase 0.0094 0.0333 0.5158
Mycobacterium tuberculosis Conserved protein 0.0036 0.0057 0.0016
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.024 0.102 0.0985
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0465 0.4741
Brugia malayi Probable ClpP-like protease 0.0159 0.0638 0.6576
Loa Loa (eye worm) glutathione reductase 0.0094 0.0333 0.3376
Plasmodium vivax glutathione reductase, putative 0.0094 0.0333 0.5158
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0107 0.1105
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0159 0.0638 1
Mycobacterium tuberculosis Probable oxidoreductase 0.024 0.102 0.0985
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0052 0.0539
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.0368 0.033
Echinococcus multilocularis thyroid hormone receptor alpha 0.014 0.0549 0.0512
Entamoeba histolytica hypothetical protein 0.0035 0.0051 0.5
Toxoplasma gondii hypothetical protein 0.0055 0.0145 0.2164
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0055 0.0145 0.2164
Brugia malayi beta-lactamase 0.0036 0.0057 0.0584
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0041 0.0989
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0057 0.0758
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0159 0.0638 1
Trypanosoma cruzi trypanothione reductase, putative 0.0094 0.0333 1
Schistosoma mansoni hypothetical protein 0.0035 0.0052 0.0011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0041 0.0989
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0041 0.0989
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0057 0.0016
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0041 0.0989
Onchocerca volvulus 0.0047 0.0107 0.1621
Schistosoma mansoni hypothetical protein 0.0047 0.0107 0.0067
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2132 0.998 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.05 0.0463
Echinococcus multilocularis microtubule associated protein 2 0.2127 0.9959 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0195 0.0155
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0057 0.0016
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.024 0.102 0.0969
Mycobacterium tuberculosis Conserved protein 0.0036 0.0057 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0057 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0057 0.0016
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0465 0.4741
Plasmodium falciparum glutathione reductase 0.0033 0.0041 0.051
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2136 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0051 0.001
Entamoeba histolytica hypothetical protein 0.0035 0.0051 0.5
Onchocerca volvulus 0.0102 0.0368 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0057 0.0496
Leishmania major hypothetical protein, conserved 0.0036 0.0057 0.1469
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0057 0.0584
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0057 0.0016
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0215 0.0906 0.0871
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0159 0.0638 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0057 0.0016
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0041 0.0989
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0057 0.0016
Mycobacterium tuberculosis Probable dehydrogenase 0.0215 0.0906 0.0871
Brugia malayi beta-lactamase family protein 0.0036 0.0057 0.0584
Brugia malayi glutathione reductase 0.0094 0.0333 0.3437
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0057 0.0016
Brugia malayi beta-lactamase family protein 0.0036 0.0057 0.0584
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0215 0.0906 0.0871
Loa Loa (eye worm) hypothetical protein 0.0036 0.0057 0.0496
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0215 0.0906 0.0855
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0057 0.0016
Echinococcus granulosus thioredoxin glutathione reductase 0.0094 0.0333 0.0295
Toxoplasma gondii ABC1 family protein 0.0036 0.0057 0.0758
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0159 0.0638 0.0602
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0159 0.0638 1
Echinococcus granulosus tumor protein p63 0.0696 0.3181 0.3166
Plasmodium falciparum thioredoxin reductase 0.0033 0.0041 0.051
Schistosoma mansoni thyroid hormone receptor 0.014 0.0549 0.0512
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0041 0.051
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0055 0.0145 0.2164
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.097 0.0936
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0041 0.0989
Mycobacterium ulcerans lipase LipD 0.0036 0.0057 0.0016
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0041 0.0989
Loa Loa (eye worm) RNA binding protein 0.0065 0.0195 0.1935
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0041 0.0424
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0041 0.051
Entamoeba histolytica hypothetical protein 0.0035 0.0051 0.5
Trypanosoma brucei trypanothione reductase 0.0094 0.0333 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0215 0.0906 0.0871
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0041 0.051
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0057 0.0016
Loa Loa (eye worm) thioredoxin reductase 0.0094 0.0333 0.3376
Loa Loa (eye worm) hypothetical protein 0.0051 0.0129 0.1251
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0051 0.001
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0159 0.0638 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0094 0.0333 0.0294
Brugia malayi Thioredoxin reductase 0.0094 0.0333 0.3437
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0159 0.0638 0.0599
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0057 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0159 0.0638 0.0599
Leishmania major trypanothione reductase 0.0094 0.0333 1
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0041 0.0989
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0195 0.0155
Loa Loa (eye worm) hypothetical protein 0.0035 0.0052 0.045
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0129 0.1332
Echinococcus granulosus peptidase Clp S14 family 0.0104 0.0379 0.0341
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.097 0.0936
Echinococcus multilocularis tumor protein p63 0.0696 0.3181 0.3166
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0195 0.0155
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0104 0.0379 0.0324
Schistosoma mansoni hypothetical protein 0.013 0.05 0.0463
Schistosoma mansoni survival motor neuron protein 0.0047 0.0107 0.0067
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0041 0.0989
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0051 0.001
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0159 0.0638 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0041 0.0989
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0051 0.001
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0215 0.0906 0.0871
Mycobacterium tuberculosis Conserved protein 0.0036 0.0057 0.0016
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0159 0.0638 0.0602
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0057 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0055 0.0145 0.0089
Brugia malayi hypothetical protein 0.0035 0.0051 0.0526
Schistosoma mansoni peptidase Clp (S14 family) 0.0159 0.0638 0.0602
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0041 0.0989
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0057 1
Plasmodium falciparum thioredoxin reductase 0.0094 0.0333 0.5158

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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