Detailed information for compound 761964

Basic information

Technical information
  • TDR Targets ID: 761964
  • Name: 1-[(4-chlorophenyl)methyl]-4-[(4-methylphenyl )methyl]piperazine
  • MW: 314.852 | Formula: C19H23ClN2
  • H donors: 0 H acceptors: 0 LogP: 4.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CN1CCN(CC1)Cc1ccc(cc1)Cl
  • InChi: 1S/C19H23ClN2/c1-16-2-4-17(5-3-16)14-21-10-12-22(13-11-21)15-18-6-8-19(20)9-7-18/h2-9H,10-15H2,1H3
  • InChiKey: FRTXAMTYYKQZJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorobenzyl)-4-(4-methylbenzyl)piperazine
  • Oprea1_797891
  • STK145341

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
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.1606 0.4067
Leishmania major mitochondrial DNA polymerase beta 0.0319 0.395 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0283 0.0608
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.2638
Brugia malayi hypothetical protein 0.0356 0.446 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0051 0.0379
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0237 0.0506
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0237 0.0506
Entamoeba histolytica hypothetical protein 0.0356 0.446 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0053 0.0237 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.1844 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0053 0.0237 0.1186
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0237 0.0601
Loa Loa (eye worm) hypothetical protein 0.011 0.1037 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0039 0.0051 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0283 0.0608
Loa Loa (eye worm) hypothetical protein 0.0053 0.0237 0.2196
Onchocerca volvulus 0.011 0.1037 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0035 0.0225
Entamoeba histolytica acyl-CoA synthetase, putative 0.0053 0.0237 0.0532
Entamoeba histolytica hypothetical protein 0.0356 0.446 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0039 0.0051 0.0165
Mycobacterium ulcerans hypothetical protein 0.0168 0.1844 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0126 0.0319
Schistosoma mansoni hypothetical protein 0.0356 0.446 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0051 0.0379
Echinococcus multilocularis tumor protein p63 0.0753 1 1
Schistosoma mansoni cellular tumor antigen P53 0.011 0.1037 0.2305
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0053 0.0237 0.1039
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0126 0.0319
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0319 0.395 1
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0012 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0053 0.0237 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0126 0.0319
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0035 0.0052
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.395 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0053 0.0237 0.1039
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0237 0.0506
Toxoplasma gondii hypothetical protein 0.0051 0.0218 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0051 0.0379
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0237 0.1039
Mycobacterium ulcerans hypothetical protein 0.0053 0.0237 0.1039
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.395 1
Entamoeba histolytica hypothetical protein 0.0356 0.446 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0053 0.0237 0.0532
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0237 0.1039
Loa Loa (eye worm) hypothetical protein 0.0053 0.0237 0.2196
Loa Loa (eye worm) hypothetical protein 0.0039 0.0051 0.0379
Schistosoma mansoni transcription factor LCR-F1 0.0356 0.446 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0237 0.2196
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0053 0.0237 0.1039
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0237 0.0601
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.1606 0.4067
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0126 0.0319
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0053 0.0237 0.1186
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0283 0.2638
Trichomonas vaginalis rotamase, putative 0.0037 0.0012 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0237 0.1039
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0356 0.446 0.4454
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0053 0.0237 0.1039
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.1606 0.4067
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0356 0.446 0.4454
Plasmodium vivax acyl-CoA synthetase, putative 0.0039 0.0051 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0053 0.0237 0.0532
Plasmodium falciparum acyl-CoA synthetase 0.0039 0.0051 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0237 0.0601
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0263 0.0666
Entamoeba histolytica hypothetical protein 0.0356 0.446 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0051 0.0379
Schistosoma mansoni hypothetical protein 0.0038 0.0035 0.0052

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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