Detailed information for compound 844445

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.868 | Formula: C19H25ClN2O
  • H donors: 0 H acceptors: 1 LogP: 3.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC12CN3CC(C2=O)(CN(C1)C3c1ccccc1Cl)C
  • InChi: 1S/C19H25ClN2O/c1-3-4-9-19-12-21-10-18(2,17(19)23)11-22(13-19)16(21)14-7-5-6-8-15(14)20/h5-8,16H,3-4,9-13H2,1-2H3
  • InChiKey: UFKBAELROJJRRQ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.6391 1
Brugia malayi steroid hormone receptor 0.001 0.6391 0.6391
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.6391 0.6391
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.566 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.6391 0.6391
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.6391 0.6391
Brugia malayi nuclear receptor NHR-88 0.001 0.6391 0.6391
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 1 1
Trypanosoma brucei cytochrome P450, putative 0.0013 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.6391 0.6391
Brugia malayi ecdysteroid receptor 0.001 0.6391 0.6391
Loa Loa (eye worm) steroid hormone receptor 0.001 0.6391 0.6391
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.6391 0.6391
Leishmania major cytochrome p450-like protein 0.0013 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.6391 0.6391
Onchocerca volvulus Bile acid receptor homolog 0.001 0.6391 0.5
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.001 0.5719 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.6391 0.6391
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.6391 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.6391 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.6391 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.6391 0.5
Trichomonas vaginalis MYB, putative 0.001 0.5721 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.6391 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.6391 0.6391
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.6391 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.001 0.5721 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.6391 0.6391
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.6391 0.6391
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.6391 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.6391 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.6391 0.6391
Brugia malayi nuclear hormone receptor 0.001 0.6391 0.6391
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.6391 0.6391
Trypanosoma cruzi cytochrome P450, putative 0.0013 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.6391 0.6391
Echinococcus granulosus FTZ F1 alpha 0.001 0.6391 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.6391 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.6391 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.6391 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.6391 1
Trypanosoma cruzi cytochrome P450, putative 0.0013 1 0.5
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.566 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.6391 0.6391
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.6391 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.6391 0.6391
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.6391 0.6391
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.6391 0.6391
Giardia lamblia Myb 1-like protein 0.001 0.5719 0.5
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.566 0.5
Echinococcus multilocularis FTZ F1 alpha 0.001 0.6391 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6391 0.6391
Loa Loa (eye worm) hypothetical protein 0.001 0.6391 0.6391
Schistosoma mansoni thyroid hormone receptor 0.001 0.6391 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.6391 0.6391
Brugia malayi Cytochrome P450 family protein 0.0013 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.6391 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.6391 0.6391
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.6391 0.6391
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.6391 0.6391
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.6391 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.6391 0.6391
Loa Loa (eye worm) hypothetical protein 0.001 0.6391 0.6391
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.6391 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.566 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.6391 0.6391
Schistosoma mansoni coup transcription factor 0.001 0.6391 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.6391 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.6391 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.6391 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.6391 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.6391 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.5064 0.5064
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.566 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.6391 1
Loa Loa (eye worm) CYP4Cod1 0.0013 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.6391 0.6391
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.6391 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.6391 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.6391 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.6391 0.6391
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.001 0.5721 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.6391 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.6391 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6391 0.6391
Schistosoma mansoni nuclear hormone receptor 0.001 0.6391 1
Onchocerca volvulus 0.001 0.6391 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.6391 0.6391
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.6391 0.6391

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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