Detailed information for compound 736767

Basic information

Technical information
  • TDR Targets ID: 736767
  • Name: 1-(3-chlorophenyl)-4-[(3-methylphenyl)methyl] piperazine
  • MW: 300.826 | Formula: C18H21ClN2
  • H donors: 0 H acceptors: 0 LogP: 4.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)CN1CCN(CC1)c1cccc(c1)Cl
  • InChi: 1S/C18H21ClN2/c1-15-4-2-5-16(12-15)14-20-8-10-21(11-9-20)18-7-3-6-17(19)13-18/h2-7,12-13H,8-11,14H2,1H3
  • InChiKey: DGKUBJRVFFPESP-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(3-chlorophenyl)-4-(3-methylbenzyl)piperazine
  • Oprea1_426734

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
Brugia malayi Pre-SET motif family protein 0.0031 0.0844 0.0866
Echinococcus granulosus General substrate transporter 0.0098 0.365 0.3744
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0425 0.0436
Echinococcus granulosus solute carrier family 22 0.0016 0.0199 0.0204
Echinococcus granulosus synaptic vesicle 2 protein 0.0016 0.0199 0.0204
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0425 0.0436
Echinococcus granulosus solute carrier family 22 0.0016 0.0199 0.0204
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.134 0.1375
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.2769 0.2841
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0425 0.0436
Trichomonas vaginalis glucose transporter, putative 0.0035 0.1013 0.083
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0425 0.0746
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1501 0.154
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.1013 1
Schistosoma mansoni glucose transport protein 0.0114 0.4325 0.7588
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0425 0.0436
Loa Loa (eye worm) hypothetical protein 0.0021 0.0425 0.0436
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0.0199 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1501 0.2634
Trypanosoma cruzi hexose transporter, putative 0.0019 0.0338 0.1706
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.9748 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0425 0.0436
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0425 0.0436
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Loa Loa (eye worm) acetyltransferase 0.0147 0.57 0.5847
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0016 0.0199 0.0204
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Echinococcus granulosus solute carrier family 22 0.0016 0.0199 0.0204
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Trypanosoma brucei glucose transporter, putative 0.0035 0.1013 1
Plasmodium vivax hexose transporter 0.0114 0.4325 1
Entamoeba histolytica hypothetical protein 0.0077 0.2769 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0425 0.0436
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.1013 0.083
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0844 0.0866
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1501 0.154
Trypanosoma brucei glucose transporter 2A 0.0035 0.1013 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0425 0.0436
Echinococcus multilocularis solute carrier family 22 0.0016 0.0199 0.0204
Loa Loa (eye worm) hypothetical protein 0.0021 0.0425 0.0436
Trypanosoma brucei glucose transporter, putative 0.0035 0.1013 1
Brugia malayi nuclear hormone receptor 0.0021 0.0425 0.0436
Leishmania major glucose transporter, lmgt1 0.0035 0.1013 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0425 0.0436
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0425 0.0436
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0016 0.0199 0.0349
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.4325 0.4437
Trichomonas vaginalis sugar transporter, putative 0.0035 0.1013 0.083
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.134 0.2766
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0425 0.0436
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0425 0.0746
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0016 0.0199 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0425 0.0436
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0795 0.0816
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0199 0.0204
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.4325 0.4437
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0425 0.0436
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0425 0.0436
Echinococcus granulosus Sugar transporter ERD6 protein 0.0016 0.0199 0.0204
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0844 0.1481
Schistosoma mansoni sugar transporter 0.0016 0.0199 0.0349
Plasmodium vivax SET domain protein, putative 0.0031 0.0844 0.1563
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0425 0.0436
Loa Loa (eye worm) hypothetical protein 0.0243 0.9748 1
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1189 1
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0425 0.0746
Brugia malayi Sugar transporter family protein 0.0114 0.4325 0.4437
Trypanosoma brucei glucose transporter, putative 0.0035 0.1013 1
Onchocerca volvulus 0.0021 0.0425 0.0231
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.5527 0.567
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0425 0.0436
Brugia malayi Sugar transporter family protein 0.0016 0.0199 0.0204
Brugia malayi major facilitator superfamily protein 0.0016 0.0199 0.0204
Echinococcus multilocularis solute carrier family 22 0.0016 0.0199 0.0204
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.1609 0.1651
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0425 0.0746
Loa Loa (eye worm) sugar transporter 0.0114 0.4325 0.4437
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.4325 0.4437
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0425 0.0436
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.134 0.2766
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0425 0.0746
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Echinococcus multilocularis solute carrier family 22 0.0016 0.0199 0.0204
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0425 0.0436
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.134 0.1164
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Schistosoma mansoni sugar transporter 0.0016 0.0199 0.0349
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0425 0.0436
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.4325 0.4437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0425 0.0436
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.57 1
Schistosoma mansoni glucose transport protein 0.0114 0.4325 0.7588
Entamoeba histolytica hypothetical protein 0.0077 0.2769 1
Leishmania major glucose transporter, lmgt2 0.0035 0.1013 1
Trypanosoma cruzi hexose transporter, putative 0.0035 0.1013 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0425 0.0436
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1189 0.2399
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0425 0.0436
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Schistosoma mansoni sugar transporter 0.0016 0.0199 0.0349
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0425 0.0746
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Loa Loa (eye worm) hypothetical protein 0.0021 0.0425 0.0436
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0844 0.0866
Brugia malayi hypothetical protein 0.0016 0.0199 0.0204
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.134 0.2766
Brugia malayi hypothetical protein 0.0243 0.9748 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0425 0.0436
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0425 0.0436
Onchocerca volvulus 0.0031 0.0844 0.0658
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0425 0.0436
Trichomonas vaginalis set domain proteins, putative 0.0249 1 1
Schistosoma mansoni glucose transport protein 0.0114 0.4325 0.7588
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1501 0.154
Loa Loa (eye worm) hypothetical protein 0.0021 0.0425 0.0436
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0425 0.0746
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0199 0.0204
Schistosoma mansoni coup transcription factor 0.0021 0.0425 0.0746
Brugia malayi major facilitator superfamily protein 0.0016 0.0199 0.0204
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0844 0.1563
Brugia malayi hypothetical protein 0.0016 0.0199 0.0204
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0114 0.4325 0.4437
Loa Loa (eye worm) hypothetical protein 0.0031 0.0844 0.0866
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1501 0.154
Brugia malayi Sugar transporter family protein 0.0016 0.0199 0.0204
Trichomonas vaginalis sugar transporter, putative 0.0035 0.1013 0.083
Leishmania major glucose transporter, lmgt3 0.0035 0.1013 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0425 0.0436
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1501 0.2634
Schistosoma mansoni hypothetical protein 0.0077 0.2769 0.4858
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0.0199 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0425 0.0436
Trypanosoma brucei glucose transporter, putative 0.0035 0.1013 1
Trichomonas vaginalis sugar transporter, putative 0.0035 0.1013 0.083
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.1013 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0425 0.0746
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0425 0.0436
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0114 0.4325 0.4437
Loa Loa (eye worm) hypothetical protein 0.0021 0.0425 0.0436
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1501 0.154
Trichomonas vaginalis glucose transporter, putative 0.0035 0.1013 0.083
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0425 0.0436
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0199 0.0204
Schistosoma mansoni survival motor neuron protein 0.005 0.1609 0.2823
Brugia malayi steroid hormone receptor 0.0021 0.0425 0.0436
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0425 0.0436
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0844 0.1481
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.57 0.5847
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0425 0.0746
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0016 0.0199 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.2769 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0425 0.0231
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Trypanosoma brucei glucose transporter, putative 0.0035 0.1013 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.134 0.1164
Entamoeba histolytica hypothetical protein 0.0077 0.2769 1
Echinococcus granulosus solute carrier family 22 0.0016 0.0199 0.0204
Trypanosoma brucei glucose transporter 1E 0.0035 0.1013 1
Echinococcus multilocularis General substrate transporter 0.0098 0.365 0.3744
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0425 0.0436
Trypanosoma brucei glucose transporter, putative 0.0035 0.1013 1
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0425 0.0231
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.4325 0.421
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.9748 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0425 0.0436
Trypanosoma brucei glucose transporter, putative 0.0035 0.1013 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.1013 1
Echinococcus multilocularis synaptic vesicle 2 protein 0.0016 0.0199 0.0204
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.57 0.5847
Echinococcus multilocularis solute carrier family 22 0.0016 0.0199 0.0204
Schistosoma mansoni glucose transporter 0.0016 0.0199 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0425 0.0436
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0425 0.0231
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.4325 0.4437
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0425 0.0436
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.1013 0.083
Plasmodium falciparum hexose transporter 0.0114 0.4325 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0114 0.4325 0.4437
Loa Loa (eye worm) hypothetical protein 0.0021 0.0425 0.0436
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0425 0.0436
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.1013 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Brugia malayi hypothetical protein 0.0077 0.2769 0.2841
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0425 0.0436
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.8728 0.8954
Trypanosoma cruzi hexose transporter 0.0035 0.1013 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1501 0.154
Schistosoma mansoni sugar transporter 0.0016 0.0199 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0425 0.0436
Schistosoma mansoni hypothetical protein 0.0114 0.4325 0.7588
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0425 0.0746
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0425 0.0436
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.2769 0.2841
Toxoplasma gondii facilitative glucose transporter GT1 0.0114 0.4325 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0844 0.1481
Trypanosoma cruzi hexose transporter, putative 0.0035 0.1013 1
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0425 0.0746
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0425 0.0436
Trypanosoma cruzi hexose transporter, putative 0.0035 0.1013 1
Mycobacterium ulcerans integral membrane transport protein 0.0016 0.0199 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1501 0.2634
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0199 0.0204
Schistosoma mansoni hypothetical protein 0.005 0.1609 0.2823
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0425 0.0436
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.2769 0.4858
Brugia malayi ecdysteroid receptor 0.0021 0.0425 0.0436
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0844 0.0866
Loa Loa (eye worm) sugar transporter 0.0016 0.0199 0.0204
Brugia malayi hypothetical protein 0.0016 0.0199 0.0204
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0016 0.0199 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0844 0.1481
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0425 0.0436
Onchocerca volvulus 0.005 0.1609 0.1439
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0425 0.0436
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0425 0.0436
Brugia malayi nuclear receptor NHR-88 0.0021 0.0425 0.0436
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0425 0.0436
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.1013 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0199 0.0204
Brugia malayi Pre-SET motif family protein 0.0219 0.8728 0.8954
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0204
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0425 0.0746
Mycobacterium ulcerans sugar transporter 0.0016 0.0199 0.5

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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