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

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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