Detailed information for compound 1863059

Basic information

Technical information
  • TDR Targets ID: 1863059
  • Name: 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N- (2-phenylethyl)-3-[4-(trifluoromethyl)phenoxy ]piperidine-3-carboxamide
  • MW: 571.03 | Formula: C31H30ClF3N2O3
  • H donors: 1 H acceptors: 2 LogP: 6.49 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)C1(CC1)C(=O)N1CCCC(C1)(Oc1ccc(cc1)C(F)(F)F)C(=O)NCCc1ccccc1
  • InChi: 1S/C31H30ClF3N2O3/c32-25-11-7-23(8-12-25)29(17-18-29)28(39)37-20-4-16-30(21-37,27(38)36-19-15-22-5-2-1-3-6-22)40-26-13-9-24(10-14-26)31(33,34)35/h1-3,5-14H,4,15-21H2,(H,36,38)
  • InChiKey: YPAQBCLUJBPATB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenoxy]-3-piperidinecarboxamide
  • 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenoxy]nipecotamide
  • 1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxamide

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
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Brugia malayi brahma associated protein 60 kDa 0.0013 0.226 0.226
Echinococcus granulosus FTZ F1 alpha 0.002 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0013 0.226 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.002 1 1
Brugia malayi nuclear receptor NHR-88 0.002 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0013 0.226 0.5
Onchocerca volvulus Bile acid receptor homolog 0.002 1 1
Plasmodium vivax hypothetical protein, conserved 0.0013 0.226 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 1 1
Echinococcus multilocularis FTZ F1 alpha 0.002 1 1
Brugia malayi nuclear hormone receptor 0.002 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.002 1 1
Brugia malayi steroid hormone receptor 0.002 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0013 0.226 0.226
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.002 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0013 0.226 0.226
Schistosoma mansoni hypothetical protein 0.0013 0.226 0.226
Schistosoma mansoni coup transcription factor 0.002 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.002 1 1
Schistosoma mansoni hypothetical protein 0.0013 0.226 0.226
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0013 0.226 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0013 0.226 0.226
Echinococcus multilocularis SWI:SNF matrix associated 0.0013 0.226 0.226
Schistosoma mansoni nuclear hormone receptor 0.002 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.002 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 1 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0013 0.226 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Brugia malayi Steroid receptor seven-up type 2 0.002 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.002 1 1
Chlamydia trachomatis SWIB complex protein 0.0013 0.226 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0013 0.226 0.5
Schistosoma mansoni thyroid hormone receptor 0.002 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 1 1
Schistosoma mansoni hypothetical protein 0.0013 0.226 0.226
Brugia malayi brahma associated protein 60 kDa 0.0013 0.226 0.226
Loa Loa (eye worm) brahma associated protein 0.0013 0.226 0.226
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0013 0.226 0.226
Loa Loa (eye worm) steroid hormone receptor 0.002 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.226 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0013 0.226 0.226
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0013 0.226 0.226
Schistosoma mansoni thyroid hormone receptor 0.002 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0013 0.226 0.226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0013 0.226 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 1 1
Schistosoma mansoni brg-1 associated factor 0.0013 0.226 0.226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 1 1
Onchocerca volvulus 0.002 1 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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