Detailed information for compound 452098

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 257.371 | Formula: C17H23NO
  • H donors: 0 H acceptors: 0 LogP: 2.4 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)C12OC3C4C1C1C5C2C3C5C4C1
  • InChi: 1S/C17H18NO/c1-7-2-4-18(5-3-7)17-14-9-6-8-10-11(9)15(17)13(10)16(19-17)12(8)14/h2-5,8-16H,6H2,1H3
  • InChiKey: BCYKYLACKSWAMA-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
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0119 0.3639 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0119 0.3639 0.3639
Loa Loa (eye worm) hypothetical protein 0.0063 0.1585 0.09
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.1091 0.0609
Brugia malayi conserved hypotetical protein 0.0056 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0119 0.3639 0.3122
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.0752 0.0752
Loa Loa (eye worm) AUR protein kinase 0.0293 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0056 0.1339 0.0869
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0119 0.3639 0.3122
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0119 0.3639 0.3294
Brugia malayi Nuclear hormone receptor E75 0.0056 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0049 0.1091 0.0367
Trichomonas vaginalis AGC family protein kinase 0.0293 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0119 0.3639 0.3122
Echinococcus multilocularis nuclear receptor nhr 48 0.0056 0.1339 0.0869
Brugia malayi nuclear receptor NHR-88 0.0119 0.3639 0.3639
Brugia malayi Nuclear hormone receptor-like 1 0.0119 0.3639 0.3639
Loa Loa (eye worm) hypothetical protein 0.0119 0.3639 0.3122
Leishmania major protein kinase, putative 0.0293 1 0.5
Brugia malayi Nuclear hormone receptor E75 0.0056 0.1339 0.1339
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0056 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0056 0.1339 0.0869
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.1339 0.0869
Brugia malayi serine/threonine-protein kinase 6 0.0293 1 1
Schistosoma mansoni thyroid hormone receptor 0.0119 0.3639 0.3639
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0119 0.3639 0.3122
Brugia malayi nuclear receptor RXR 0.0056 0.1339 0.1339
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0119 0.3639 0.3294
Giardia lamblia Aurora kinase 0.0293 1 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0293 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.1585 0.1585
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0119 0.3639 0.3639
Brugia malayi nuclear hormone receptor 0.0056 0.1339 0.1339
Schistosoma mansoni nuclear hormone receptor 0.0056 0.1339 0.1339
Schistosoma mansoni coup transcription factor 0.0119 0.3639 0.3639
Brugia malayi hypothetical protein 0.0063 0.1585 0.1585
Brugia malayi ecdysteroid receptor 0.0119 0.3639 0.3639
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0119 0.3639 0.3639
Loa Loa (eye worm) nuclear receptor NHR-67 0.0056 0.1339 0.0634
Schistosoma mansoni zinc finger protein 0.0056 0.1339 0.1339
Trichomonas vaginalis AGC family protein kinase 0.0293 1 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0056 0.1339 0.0869
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0293 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0119 0.3639 0.3639
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0119 0.3639 0.3639
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0119 0.3639 0.3294
Echinococcus multilocularis thyroid hormone receptor alpha 0.0119 0.3639 0.3294
Echinococcus granulosus aurora kinase A 0.0293 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Trypanosoma cruzi aurora B kinase, putative 0.0293 1 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0119 0.3639 0.3639
Brugia malayi nuclear hormone receptor family member nhr-6 0.0056 0.1339 0.1339
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0063 0.1585 0.1129
Brugia malayi serine/threonine kinase 12 0.0293 1 1
Loa Loa (eye worm) AUR protein kinase 0.0293 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0056 0.1339 0.0869
Entamoeba histolytica protein kinase, putative 0.0293 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Trichomonas vaginalis AGC family protein kinase 0.0293 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0119 0.3639 0.3294
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0119 0.3639 0.3294
Loa Loa (eye worm) hypothetical protein 0.0063 0.1585 0.09
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0056 0.1339 0.0869
Echinococcus granulosus Nuclear hormone receptor HR96 0.0056 0.1339 0.0869
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 0.1585 0.1585
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.1585 0.1585
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Echinococcus granulosus ecdysone induced protein 78C 0.0119 0.3639 0.3294
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0119 0.3639 0.3294
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Loa Loa (eye worm) DR-78 0.0056 0.1339 0.0634
Trypanosoma brucei aurora B kinase 0.0293 1 0.5
Brugia malayi ecdysone receptor 0.0056 0.1339 0.1339
Brugia malayi tailless protein 0.0056 0.1339 0.1339
Brugia malayi nuclear receptor NHR-67 0.0056 0.1339 0.1339
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0119 0.3639 0.3122
Schistosoma mansoni steroid hormone receptor ad4bp 0.0119 0.3639 0.3639
Loa Loa (eye worm) hypothetical protein 0.0119 0.3639 0.3122
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0063 0.1585 0.1585
Schistosoma mansoni nuclear receptor 0.0056 0.1339 0.1339
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.1091 0.0609
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0063 0.1585 0.1129
Loa Loa (eye worm) hypothetical protein 0.0063 0.1585 0.09
Schistosoma mansoni metabotropic glutamate receptor 0.0034 0.0514 0.0514
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0119 0.3639 0.3294
Onchocerca volvulus Bile acid receptor homolog 0.0119 0.3639 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0119 0.3639 0.3639
Schistosoma mansoni thyroid hormone receptor 0.0119 0.3639 0.3639
Loa Loa (eye worm) AUR protein kinase 0.0293 1 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.3639 0.3122
Echinococcus granulosus FTZ F1 alpha 0.0119 0.3639 0.3294
Onchocerca volvulus Protein ultraspiracle homolog 0.0119 0.3639 1
Toxoplasma gondii aurora kinase 0.0293 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.0119 0.3639 0.3639
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0119 0.3639 0.3639
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0293 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1585 0.09
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0293 1 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0056 0.1339 0.0634
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0119 0.3639 0.3294
Brugia malayi orphan nuclear receptor NR2E1 0.0056 0.1339 0.1339
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0119 0.3639 0.3294
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Schistosoma mansoni protein kinase 0.0293 1 1
Echinococcus multilocularis aurora kinase A 0.0293 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0293 1 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0056 0.1339 0.1339
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0119 0.3639 0.3639
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0119 0.3639 0.3639
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0119 0.3639 0.3122
Schistosoma mansoni nuclear receptor 0.0056 0.1339 0.1339
Echinococcus multilocularis ecdysone induced protein 78C 0.0119 0.3639 0.3294
Schistosoma mansoni nuclear receptor nhr-48 0.0056 0.1339 0.1339
Trichomonas vaginalis AGC family protein kinase 0.0293 1 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0119 0.3639 0.3639
Brugia malayi hypothetical protein 0.0056 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0119 0.3639 0.3122
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0293 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0056 0.1339 0.1339
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0119 0.3639 0.3294
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0119 0.3639 0.3639
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Onchocerca volvulus 0.0119 0.3639 1
Entamoeba histolytica protein kinase domain containing protein 0.0293 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0293 1 1
Brugia malayi hypothetical protein 0.0056 0.1339 0.1339
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0063 0.1585 0.09
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0119 0.3639 0.3639
Echinococcus multilocularis FTZ F1 alpha 0.0119 0.3639 0.3294
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0614 0.0614
Loa Loa (eye worm) hypothetical protein 0.0119 0.3639 0.3122
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0056 0.1339 0.0869
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0119 0.3639 0.3294
Brugia malayi nuclear receptor NHR-88 0.0056 0.1339 0.1339
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0119 0.3639 0.3639
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0119 0.3639 0.3639
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0119 0.3639 0.3639
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Brugia malayi nuclear receptor RXR 0.0063 0.1585 0.1585
Loa Loa (eye worm) steroid hormone receptor 0.0119 0.3639 0.3122
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0046 0.0953 0.0953
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0119 0.3639 0.3639
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0056 0.1339 0.0634
Brugia malayi hypothetical protein 0.0063 0.1585 0.1585
Schistosoma mansoni nuclear hormone receptor 0.0056 0.1339 0.1339
Echinococcus granulosus Nuclear hormone receptor HR96 0.0056 0.1339 0.0869
Loa Loa (eye worm) hypothetical protein 0.0063 0.1585 0.09
Brugia malayi nuclear hormone receptor 0.0119 0.3639 0.3639
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.1339 0.0869
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0293 1 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0119 0.3639 0.3639
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0119 0.3639 0.3639
Brugia malayi nuclear hormone receptor family member odr-7 0.0056 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0056 0.1339 0.0634
Echinococcus granulosus nuclear receptor nhr 48 0.0056 0.1339 0.0869
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0119 0.3639 0.3294
Loa Loa (eye worm) hypothetical protein 0.0119 0.3639 0.3122
Entamoeba histolytica protein kinase , putative 0.0293 1 0.5
Entamoeba histolytica protein kinase, putative 0.0293 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0119 0.3639 0.3639
Brugia malayi Steroid receptor seven-up type 2 0.0119 0.3639 0.3639
Brugia malayi steroid hormone receptor 0.0119 0.3639 0.3639
Schistosoma mansoni retinoic acid receptor RXR 0.0119 0.3639 0.3639
Loa Loa (eye worm) hypothetical protein 0.0119 0.3639 0.3122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0119 0.3639 0.3122
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0119 0.3639 0.3639
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0119 0.3639 0.3122
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0119 0.3639 0.3294

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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