Detailed information for compound 109391

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 266.338 | Formula: C17H18N2O
  • H donors: 0 H acceptors: 1 LogP: 2.69 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCn2c1c(c1ccccc1)c(=O)c1c2CCC1
  • InChi: 1S/C17H18N2O/c1-18-10-11-19-14-9-5-8-13(14)16(20)15(17(18)19)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
  • InChiKey: AZGXOUGXZKCAHQ-UHFFFAOYSA-N  


Substructure search Similarity search

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 FTZ F1 alpha 0.015 0.5167 0.5
Onchocerca volvulus 0.015 0.5167 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.015 0.5167 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.015 0.5167 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.015 0.5167 0.5167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.015 0.5167 0.5167
Echinococcus granulosus nuclear receptor 2DBD gamma 0.015 0.5167 0.5
Loa Loa (eye worm) steroid hormone receptor 0.015 0.5167 0.5167
Brugia malayi Nuclear hormone receptor family member nhr-31 0.015 0.5167 0.5167
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.015 0.5167 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.015 0.5167 0.5167
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.015 0.5167 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.015 0.5167 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.015 0.5167 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.015 0.5167 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.015 0.5167 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.015 0.5167 0.5167
Brugia malayi Steroid receptor seven-up type 2 0.015 0.5167 0.5167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.015 0.5167 0.5167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.015 0.5167 0.5167
Trypanosoma cruzi cytochrome P450, putative 0.0083 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.015 0.5167 0.5
Schistosoma mansoni thyroid hormone receptor 0.015 0.5167 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.015 0.5167 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.015 0.5167 0.5167
Schistosoma mansoni steroid hormone receptor ad4bp 0.015 0.5167 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.5167 0.5167
Trypanosoma cruzi cytochrome P450, putative 0.0083 0 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.5167 0.5167
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.015 0.5167 0.5167
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.5167 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.015 0.5167 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.015 0.5167 0.5167
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.015 0.5167 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.015 0.5167 0.5167
Loa Loa (eye worm) hypothetical protein 0.015 0.5167 0.5167
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0083 0 0.5
Brugia malayi ecdysteroid receptor 0.015 0.5167 0.5167
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.015 0.5167 0.5167
Schistosoma mansoni coup transcription factor 0.015 0.5167 0.5
Onchocerca volvulus Bile acid receptor homolog 0.015 0.5167 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.015 0.5167 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.015 0.5167 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.015 0.5167 0.5
Brugia malayi nuclear receptor NHR-88 0.015 0.5167 0.5167
Echinococcus multilocularis ecdysone induced protein 78C 0.015 0.5167 0.5
Echinococcus granulosus FTZ F1 alpha 0.015 0.5167 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.015 0.5167 0.5167
Trypanosoma brucei cytochrome P450, putative 0.0083 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.015 0.5167 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.015 0.5167 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.015 0.5167 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.5167 0.5167
Brugia malayi nuclear hormone receptor 0.015 0.5167 0.5167
Brugia malayi steroid hormone receptor 0.015 0.5167 0.5167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.015 0.5167 0.5167
Brugia malayi Nuclear hormone receptor family member nhr-41 0.015 0.5167 0.5167
Loa Loa (eye worm) hypothetical protein 0.015 0.5167 0.5167
Brugia malayi Nuclear hormone receptor family member nhr-40 0.015 0.5167 0.5167
Loa Loa (eye worm) cytochrome P450 family protein 0.0213 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.015 0.5167 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.015 0.5167 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.015 0.5167 0.5167
Leishmania major cytochrome p450-like protein 0.0083 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.015 0.5167 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.015 0.5167 0.5167
Brugia malayi Nuclear hormone receptor family member nhr-49 0.015 0.5167 0.5167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.015 0.5167 0.5167
Brugia malayi Nuclear hormone receptor family member nhr-19 0.015 0.5167 0.5167
Loa Loa (eye worm) hypothetical protein 0.015 0.5167 0.5167
Loa Loa (eye worm) hypothetical protein 0.015 0.5167 0.5167
Brugia malayi Nuclear hormone receptor family member nhr-3 0.015 0.5167 0.5167
Loa Loa (eye worm) hypothetical protein 0.015 0.5167 0.5167
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.015 0.5167 0.5
Schistosoma mansoni thyroid hormone receptor 0.015 0.5167 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.015 0.5167 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.015 0.5167 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 27 % In vitro inhibitory activity against lipopolysaccharide (LPS)-induced interleukin 6 production in murine myelomonocytic leukemia (WEHI-265.1) cells at a concentration of 10 microM ChEMBL. No reference
Inhibition (functional) = 27 % In vitro inhibitory activity against lipopolysaccharide (LPS)-induced interleukin 6 production in murine myelomonocytic leukemia (WEHI-265.1) cells at a concentration of 10 microM ChEMBL. No reference

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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