Detailed information for compound 78583

Basic information

Technical information
  • TDR Targets ID: 78583
  • Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenox ybutan-2-ol
  • MW: 360.878 | Formula: C20H25ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 3.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(COc1ccccc1)CCN1CCN(CC1)c1cccc(c1)Cl
  • InChi: 1S/C20H25ClN2O2/c21-17-5-4-6-18(15-17)23-13-11-22(12-14-23)10-9-19(24)16-25-20-7-2-1-3-8-20/h1-8,15,19,24H,9-14,16H2
  • InChiKey: IJLQQXLPJCRIQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenoxy-butan-2-ol
  • 4-[4-(3-chlorophenyl)-1-piperazinyl]-1-phenoxy-2-butanol
  • 4-[4-(3-chlorophenyl)piperazino]-1-phenoxy-butan-2-ol
  • 4-[4-(3-chlorophenyl)piperazin-1-yl]-1-(phenoxy)butan-2-ol
  • 4-[4-(3-chlorophenyl)-1-piperazinyl]-1-(phenoxy)butan-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 Ribonuclease H1 homolog 0.0022 0.1645 1
Trichomonas vaginalis ribonuclease H1, putative 0.0022 0.1645 0.0395
Brugia malayi Doublecortin family protein 0.002 0.1355 0.8216
Toxoplasma gondii ribonuclease HI protein 0.0022 0.1645 1
Schistosoma mansoni polycystin 1-related 0.002 0.1355 0.1337
Entamoeba histolytica recQ family helicase, putative 0.002 0.1448 0.2251
Echinococcus granulosus ribonuclease H1 0.0022 0.1645 0.2532
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0024 0.1903 0.0532
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0056 0.6433 0.5829
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0022 0.1645 0.5
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.1448 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.1448 0.8788
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.1903 0.0532
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0056 0.6433 1
Schistosoma mansoni DNA helicase recq5 0.002 0.1448 0.143
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0237
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0237
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0056 0.6433 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0056 0.6433 1
Echinococcus multilocularis bloom syndrome protein 0.002 0.1448 0.2226
Treponema pallidum ribonuclease H (rnhA) 0.0022 0.1645 1
Giardia lamblia Rrm3p helicase 0.0056 0.6433 1
Brugia malayi RNase H family protein 0.0022 0.1645 1
Schistosoma mansoni lipoxygenase 0.0055 0.6303 0.6295
Schistosoma mansoni rab6-interacting 0.002 0.1355 0.1337
Brugia malayi RNase H family protein 0.0022 0.1645 1
Loa Loa (eye worm) hypothetical protein 0.002 0.1448 1
Schistosoma mansoni hypothetical protein 0.002 0.1355 0.1337
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.1355 0.2081
Echinococcus granulosus bloom syndrome protein 0.002 0.1448 0.2226
Trypanosoma brucei ribonuclease H1 0.0022 0.1645 0.023
Brugia malayi Bloom's syndrome protein homolog 0.002 0.1448 0.8788
Brugia malayi hypothetical protein 0.002 0.1355 0.8216
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0056 0.6433 1
Schistosoma mansoni rab6-interacting 0.002 0.1355 0.1337
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0055 0.0407
Loa Loa (eye worm) hypothetical protein 0.002 0.1355 0.9349
Entamoeba histolytica hypothetical protein, conserved 0.0056 0.6433 1
Giardia lamblia Ribonuclease H 0.0022 0.1645 0.0395
Echinococcus granulosus RUN 0.002 0.1355 0.2081
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.1448 0.2226
Schistosoma mansoni hypothetical protein 0.0056 0.6433 0.6425
Schistosoma mansoni loxhd1 0.002 0.1355 0.1337
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0056 0.6433 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.1448 1
Loa Loa (eye worm) doublecortin family protein 0.002 0.1355 0.9349
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0055 0.0034
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0056 0.6433 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.6303 0.9797
Schistosoma mansoni phosphoglucomutase 0.0022 0.1645 0.1627
Schistosoma mansoni lipoxygenase 0.002 0.1355 0.1337
Echinococcus multilocularis RUN 0.002 0.1355 0.2081
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.6433 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.1448 0.2184
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.1355 0.2081
Trypanosoma brucei unspecified product 0.0024 0.1903 0.0532
Brugia malayi RNase H family protein 0.0022 0.1645 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.1448 1
Schistosoma mansoni DNA helicase recq1 0.002 0.1448 0.143
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.1448 0.2226
Onchocerca volvulus 0.002 0.1355 0.8216
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.1355 0.2081
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.1448 0.8788
Trypanosoma brucei RNA helicase, putative 0.0082 1 1
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.1355 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.1448 0.8804
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.1903 0.0532
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.1448 0.8804
Schistosoma mansoni phosphoglucomutase 0.0022 0.1645 0.1627
Entamoeba histolytica recQ family DNA helicase 0.001 0.0055 0.0086
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.1645 0.2493
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0055 0.0335
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.6303 0.9797
Leishmania major ribonuclease H1, putative 0.0022 0.1645 0.0395
Loa Loa (eye worm) RecQ helicase 0.002 0.1448 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.1448 0.2226
Brugia malayi hypothetical protein 0.002 0.1355 0.8216
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.1645 0.2493
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.1448 0.2226
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0056 0.6433 1
Onchocerca volvulus 0.002 0.1355 0.8216
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.1355 0.2081
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0056 0.6433 0.5829
Loa Loa (eye worm) hypothetical protein 0.002 0.1355 0.9349
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.1903 0.0532
Echinococcus multilocularis ribonuclease H1 0.0022 0.1645 0.2532
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.1355 0.2081
Schistosoma mansoni phosphoglucomutase 0.0022 0.1645 0.1627
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0056 0.6433 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.1355 0.2081

Activities

Activity type Activity value Assay description Source Reference
PFA (functional) = -85 Percent change in volume of foot edema of test compound to that of positive control was determined at a dose of 31.6 mg/kg in rat; -85/-78 ChEMBL. 2342077
PFA (functional) = 22 Percent change in volume of foot edema of test compound to that of positive control was determined at a dose of 10 mg/kg in rat; +22/-73 ChEMBL. 2342077

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

1 literature reference was collected for this gene.

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