Detailed information for compound 727695

Basic information

Technical information
  • TDR Targets ID: 727695
  • Name: 1-(2-chlorophenyl)-4-[(2,3-dichlorophenyl)met hyl]piperazine
  • MW: 355.689 | Formula: C17H17Cl3N2
  • H donors: 0 H acceptors: 0 LogP: 5.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1c(cccc1Cl)CN1CCN(CC1)c1ccccc1Cl
  • InChi: 1S/C17H17Cl3N2/c18-14-5-1-2-7-16(14)22-10-8-21(9-11-22)12-13-4-3-6-15(19)17(13)20/h1-7H,8-12H2
  • InChiKey: PDQAHRGAJCDZRS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-chlorophenyl)-4-(2,3-dichlorobenzyl)piperazine
  • Oprea1_473711
  • 1-(2-Chloro-phenyl)-4-(2,3-dichloro-benzyl)-piperazine
  • BAS 00637904
  • Oprea1_235032

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
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0483 0.3181 0.368
Leishmania major hexokinase, putative 0.1216 0.8644 1
Trichomonas vaginalis glutaminase, putative 0.1398 1 1
Onchocerca volvulus 0.1216 0.8644 1
Trypanosoma brucei hypothetical protein, conserved 0.1088 0.7689 0.8896
Loa Loa (eye worm) hypothetical protein 0.0387 0.2462 0.2462
Schistosoma mansoni kinase 0.0246 0.141 0.141
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0125 0.0514 0.0514
Mycobacterium ulcerans lipoprotein LpqF 0.0128 0.0536 0.0024
Schistosoma mansoni hypothetical protein 0.0074 0.0131 0.0131
Brugia malayi Hexokinase family protein 0.0376 0.2385 0.2385
Echinococcus granulosus hexokinase type 2 0.1216 0.8644 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0052 0.0052
Brugia malayi glucose-6-phosphate dehydrogenase 0.0989 0.6948 0.6948
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0128 0.0536 0.0138
Echinococcus granulosus citrate lyase subunit beta protein 0.0125 0.0514 0.0595
Entamoeba histolytica serine/threonine protein kinase, putative 0.0483 0.3181 0.3583
Loa Loa (eye worm) hypothetical protein 0.0387 0.2462 0.2462
Trypanosoma cruzi hexokinase, putative 0.1216 0.8644 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0052 0.0052
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0483 0.3181 0.368
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0328 0.2022 0.2339
Leishmania major hexokinase, putative 0.1216 0.8644 1
Entamoeba histolytica hexokinase 1 0.1216 0.8644 1
Brugia malayi Hexokinase family protein 0.1216 0.8644 0.8644
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.1031 0.7265 0.8405
Trichomonas vaginalis CAMK family protein kinase 0.0483 0.3181 0.3181
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0052 0.0052
Loa Loa (eye worm) hexokinase 0.0763 0.5266 0.5266
Echinococcus multilocularis caspase 0.0211 0.115 0.1331
Echinococcus multilocularis hexokinase 0.1216 0.8644 1
Echinococcus multilocularis hexokinase 0.1216 0.8644 1
Echinococcus multilocularis caspase 3 0.0154 0.0731 0.0845
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.1031 0.7265 0.7265
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0318 0.1951 0.2257
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0267 0.1572 0.6524
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0052 0.0052
Brugia malayi Hexokinase family protein 0.0763 0.5266 0.5266
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0646 0.4392 0.4089
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0131 0.0151
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0052 0.006
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0989 0.6948 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0483 0.3181 0.3181
Trichomonas vaginalis CAMK family protein kinase 0.0239 0.1363 0.1363
Brugia malayi serine/threonine-protein kinase plk-2 0.0483 0.3181 0.3181
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0483 0.3181 0.3181
Trichomonas vaginalis CAMK family protein kinase 0.0483 0.3181 0.3181
Trypanosoma brucei hexokinase 0.1216 0.8644 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0483 0.3181 0.368
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0989 0.6948 0.8039
Schistosoma mansoni caspase-7 (C14 family) 0.0211 0.115 0.115
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0125 0.0514 0.0595
Echinococcus granulosus hexokinase 0.1216 0.8644 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0483 0.3181 0.368
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1031 0.7265 0.7265
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0052 0.0052
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0052 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.1088 0.7689 0.8896
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0125 0.0514 0.0595
Mycobacterium ulcerans glutaminase 0.1398 1 1
Onchocerca volvulus Hexokinase homolog 0.0763 0.5266 0.6093
Echinococcus granulosus hexokinase 0.1216 0.8644 1
Loa Loa (eye worm) hexokinase 0.0376 0.2385 0.2385
Echinococcus multilocularis citrate lyase subunit beta protein 0.0125 0.0514 0.0595
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0052 0.0052
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.1031 0.7265 0.8405
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.1031 0.7265 1
Loa Loa (eye worm) hexokinase 0.1216 0.8644 0.8644
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0989 0.6948 0.6783
Schistosoma mansoni caspase-3 (C14 family) 0.0211 0.115 0.115
Schistosoma mansoni serine/threonine protein kinase 0.0483 0.3181 0.3181
Trypanosoma brucei hexokinase 0.1216 0.8644 1
Trypanosoma cruzi hypothetical protein, conserved 0.1088 0.7689 0.8896
Loa Loa (eye worm) glutaminase 0.1398 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0483 0.3181 0.368
Echinococcus granulosus caspase 3 0.0154 0.0731 0.0845
Onchocerca volvulus 0.1216 0.8644 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0052 0.0052
Loa Loa (eye worm) hexokinase type II 0.1216 0.8644 0.8644
Loa Loa (eye worm) hypothetical protein 0.0829 0.5762 0.5762
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0128 0.0536 0.5
Schistosoma mansoni hexokinase 0.1216 0.8644 0.8644
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1031 0.7265 0.7265
Onchocerca volvulus 0.0763 0.5266 0.6093
Trichomonas vaginalis CAMK family protein kinase 0.0483 0.3181 0.3181
Trichomonas vaginalis CAMK family protein kinase 0.0239 0.1363 0.1363
Loa Loa (eye worm) MH2 domain-containing protein 0.049 0.3235 0.3235
Loa Loa (eye worm) glutaminase 2 0.1398 1 1
Onchocerca volvulus 0.1216 0.8644 1
Treponema pallidum hexokinase (hxk) 0.1216 0.8644 1
Loa Loa (eye worm) hexokinase 0.1216 0.8644 0.8644
Trypanosoma cruzi hexokinase, putative 0.1216 0.8644 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0052 0.006
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0989 0.6948 0.8039
Brugia malayi TAR-binding protein 0.0063 0.0052 0.0052
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0646 0.4392 0.5082
Brugia malayi RNA binding protein 0.0063 0.0052 0.0052
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0989 0.6948 0.6948
Plasmodium vivax hexokinase, putative 0.1216 0.8644 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0989 0.6948 0.8039
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.1031 0.7265 0.8405
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0343 0.2136 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0211 0.115 0.1331
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0131 0.0151
Brugia malayi hypothetical protein 0.0074 0.0131 0.0131
Echinococcus granulosus hexokinase 0.1216 0.8644 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0267 0.1572 0.1116
Brugia malayi hexokinase type II 0.0387 0.2462 0.2462
Echinococcus multilocularis hexokinase 0.1216 0.8644 1
Trypanosoma brucei beta lactamase 0.0128 0.0536 0.0621
Trichomonas vaginalis CAMK family protein kinase 0.0483 0.3181 0.3181
Trichomonas vaginalis CAMK family protein kinase 0.0483 0.3181 0.3181
Brugia malayi hexokinase 0.1216 0.8644 0.8644
Trypanosoma cruzi polo-like protein kinase, putative 0.0483 0.3181 0.368
Trichomonas vaginalis CAMK family protein kinase 0.0483 0.3181 0.3181
Toxoplasma gondii hexokinase 0.1216 0.8644 1
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0131 0.0131
Schistosoma mansoni glutaminase 0.1398 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0989 0.6948 0.6948
Echinococcus multilocularis hexokinase type 2 0.1216 0.8644 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0211 0.115 0.1331
Leishmania major hypothetical protein, conserved 0.1088 0.7689 0.8896
Plasmodium falciparum hexokinase 0.1216 0.8644 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.0052 0.0052
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0989 0.6948 0.8039
Brugia malayi MH2 domain containing protein 0.049 0.3235 0.3235
Trypanosoma brucei polo-like protein kinase 0.0483 0.3181 0.368
Trypanosoma brucei hexokinase, putative 0.1216 0.8644 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0125 0.0514 0.0595
Loa Loa (eye worm) transcription factor SMAD2 0.049 0.3235 0.3235
Echinococcus granulosus caspase 0.0211 0.115 0.1331
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0989 0.6948 0.8039
Entamoeba histolytica hexokinase 2 0.1216 0.8644 1

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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