Detailed information for compound 1462719

Basic information

Technical information
  • TDR Targets ID: 1462719
  • Name: 1-[bis(4-chlorophenyl)methoxy]-3-(4-methylpip erazin-1-yl)propan-2-ol
  • MW: 409.349 | Formula: C21H26Cl2N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCN(CC1)C)COC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
  • InChi: 1S/C21H26Cl2N2O2/c1-24-10-12-25(13-11-24)14-20(26)15-27-21(16-2-6-18(22)7-3-16)17-4-8-19(23)9-5-17/h2-9,20-21,26H,10-15H2,1H3
  • InChiKey: UQZPLFLUUGHBOA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[bis(4-chlorophenyl)methoxy]-3-(4-methyl-1-piperazinyl)propan-2-ol

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
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0046 0.0083
Loa Loa (eye worm) oxidoreductase 0.0444 0.5591 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0444 0.5591 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0444 0.5591 1
Plasmodium falciparum aldehyde reductase, putative 0.0129 0.1581 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0129 0.1581 0.1534
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0129 0.1581 0.1663
Onchocerca volvulus 0.0444 0.5591 1
Leishmania major prostaglandin f synthase, putative 0.0444 0.5591 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0046 0.0083
Toxoplasma gondii aldo-keto reductase 0.0129 0.1581 0.1663
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0083 0.0027
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Echinococcus granulosus aldo keto reductase 0.0444 0.5591 0.5566
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Echinococcus multilocularis voltage gated potassium channel subunit 0.0129 0.1581 0.1534
Onchocerca volvulus 0.0444 0.5591 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0444 0.5591 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0129 0.1581 0.2721
Echinococcus multilocularis cpg binding protein 0.0037 0.0412 0.0358
Entamoeba histolytica aldose reductase, putative 0.0444 0.5591 1
Toxoplasma gondii aldose reductase, putative 0.0444 0.5591 1
Entamoeba histolytica aldose reductase, putative 0.0444 0.5591 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0046 0.0083
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Mycobacterium tuberculosis Probable oxidoreductase 0.0444 0.5591 1
Schistosoma mansoni cpg binding protein 0.0037 0.0412 0.0403
Schistosoma mansoni microtubule-associated protein tau 0.0791 1 1
Entamoeba histolytica aldose reductase, putative 0.0444 0.5591 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Echinococcus granulosus aldo keto reductase 0.0444 0.5591 0.5566
Onchocerca volvulus 0.0444 0.5591 1
Echinococcus granulosus hypothetical protein 0.0444 0.5591 0.5566
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Echinococcus multilocularis aldehyde reductase 0.0315 0.3956 0.3922
Echinococcus granulosus voltage gated potassium channel subunit 0.0129 0.1581 0.1534
Brugia malayi CXXC zinc finger family protein 0.0035 0.0387 0.0556
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0129 0.1581 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0129 0.1581 0.2828
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Echinococcus multilocularis aldo keto reductase 0.0444 0.5591 0.5566
Schistosoma mansoni cpg binding protein 0.0037 0.0412 0.0403
Brugia malayi NADH-dependent xylose reductase 0.0129 0.1581 0.2723
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0046 0.0083
Schistosoma mansoni aldo-keto reductase 0.0444 0.5591 0.5586
Trichomonas vaginalis helicase, putative 0.0008 0.0046 0.0083
Loa Loa (eye worm) hypothetical protein 0.0444 0.5591 1
Echinococcus multilocularis aldo keto reductase 0.0444 0.5591 0.5566
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0444 0.5591 1
Giardia lamblia Aldose reductase 0.0444 0.5591 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0444 0.5591 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0129 0.1581 0.2723
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0056 0.0046
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.6225 0.6203
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0444 0.5591 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0046 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Schistosoma mansoni aldo-keto reductase 0.0444 0.5591 0.5586
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Onchocerca volvulus 0.0444 0.5591 1
Echinococcus granulosus aldehyde reductase 0.0315 0.3956 0.3922
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Loa Loa (eye worm) oxidoreductase 0.0444 0.5591 1
Mycobacterium ulcerans oxidoreductase 0.0444 0.5591 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0387 0.0553
Schistosoma mansoni cpg binding protein 0.0035 0.0387 0.0378
Plasmodium vivax aldehyde reductase, putative 0.0129 0.1581 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Trichomonas vaginalis aldo/keto reductase, putative 0.0444 0.5591 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Onchocerca volvulus 0.0129 0.1581 0.2295
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Trypanosoma brucei prostaglandin f synthase 0.0444 0.5591 1
Echinococcus granulosus aldo keto reductase 0.0444 0.5591 0.5566
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0129 0.1581 0.1663
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0444 0.5591 1
Leishmania major aldo-keto reductase-like protein 0.0444 0.5591 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Loa Loa (eye worm) oxidoreductase 0.0444 0.5591 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0129 0.1581 0.2828
Echinococcus multilocularis aldo keto reductase 0.0444 0.5591 0.5566
Echinococcus multilocularis microtubule associated protein 2 0.0791 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0083 0.0027
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0444 0.5591 1
Onchocerca volvulus 0.0444 0.5591 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0046 0.0083
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Trypanosoma cruzi aldo/keto reductase, putative 0.0444 0.5591 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0881 0.0873
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0444 0.5591 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Trypanosoma brucei aldo-keto reductase, putative 0.0444 0.5591 1
Plasmodium falciparum aldo-keto reductase, putative 0.0129 0.1581 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Echinococcus granulosus dnaJ subfamily B 0.0494 0.6225 0.6203
Echinococcus granulosus cpg binding protein 0.0037 0.0412 0.0358
Mycobacterium leprae Conserved hypothetical protein 0.0315 0.3956 0.5922
Loa Loa (eye worm) oxidoreductase 0.0444 0.5591 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0046 0.0083
Echinococcus multilocularis aldo keto reductase 0.0444 0.5591 0.5566
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0129 0.1581 0.2828
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Trichomonas vaginalis aldo-keto reductase, putative 0.0444 0.5591 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0444 0.5591 1
Schistosoma mansoni hypothetical protein 0.0494 0.6225 0.6221
Onchocerca volvulus 0.0444 0.5591 1
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.1581 0.2828
Schistosoma mansoni pol-related 0.0444 0.5591 0.5586
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0046 0.0083
Loa Loa (eye worm) oxidoreductase 0.0444 0.5591 1
Giardia lamblia Aldose reductase 0.0444 0.5591 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0444 0.5591 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0129 0.1581 0.2828
Trypanosoma cruzi aldo-keto reductase 0.0444 0.5591 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0444 0.5591 0.5566
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0046 0.0083
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0444 0.5591 0.5566
Schistosoma mansoni potassium channel beta 0.0129 0.1581 0.1573
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0444 0.5591 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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