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