Detailed information for compound 1173326

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.43 | Formula: C17H27N5
  • H donors: 0 H acceptors: 3 LogP: 4.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCC(n1nnc(n1)C)c1ccc(cc1)C(C)(C)C)C
  • InChi: 1S/C17H27N5/c1-13-18-20-22(19-13)16(11-12-21(5)6)14-7-9-15(10-8-14)17(2,3)4/h7-10,16H,11-12H2,1-6H3
  • InChiKey: UONQDYBVXOMWEK-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
Brugia malayi nuclear receptor NHR-88 0.002 0.021 0.024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.021 0.0687
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.021 0.024
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.1054 0.3447
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.021 0.0687
Plasmodium vivax SET domain protein, putative 0.0059 0.1054 0.5
Brugia malayi nuclear hormone receptor 0.002 0.021 0.024
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.021 0.024
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.021 0.024
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.306 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.1327 0.4336
Loa Loa (eye worm) hypothetical protein 0.002 0.021 0.024
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.021 0.024
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.2614 0.8543
Loa Loa (eye worm) hypothetical protein 0.002 0.021 0.024
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2382 0.272
Schistosoma mansoni hypothetical protein 0.0071 0.1327 0.4336
Loa Loa (eye worm) hypothetical protein 0.002 0.021 0.024
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.021 0.024
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.021 0.024
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2382 0.272
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.021 0.024
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.021 0.0687
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.021 0.024
Brugia malayi Pre-SET motif family protein 0.0059 0.1054 0.1204
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.021 0.024
Loa Loa (eye worm) steroid hormone receptor 0.002 0.021 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.021 0.024
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.021 0.024
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.021 0.0804
Loa Loa (eye worm) hypothetical protein 0.002 0.021 0.024
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.1054 0.3447
Entamoeba histolytica hypothetical protein 0.0071 0.1327 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.021 0.024
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.021 0.0687
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.021 0.0687
Schistosoma mansoni thyroid hormone receptor 0.015 0.306 1
Loa Loa (eye worm) hypothetical protein 0.002 0.021 0.024
Echinococcus multilocularis FTZ F1 alpha 0.002 0.021 0.0687
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.021 0.0804
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.021 0.0804
Brugia malayi steroid hormone receptor 0.002 0.021 0.024
Loa Loa (eye worm) hypothetical protein 0.0059 0.1054 0.1204
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.021 0.0687
Entamoeba histolytica hypothetical protein 0.0071 0.1327 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.021 0.0687
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.1054 0.3447
Loa Loa (eye worm) hypothetical protein 0.002 0.021 0.024
Brugia malayi ecdysteroid receptor 0.002 0.021 0.024
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.021 0.0804
Loa Loa (eye worm) hypothetical protein 0.002 0.021 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.021 0.024
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0409 0.8758 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.021 0.0804
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.021 0.0687
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.021 0.0687
Schistosoma mansoni thyroid hormone receptor 0.015 0.306 1
Trichomonas vaginalis set domain proteins, putative 0.0465 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.021 0.024
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.021 0.0687
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.021 0.0687
Entamoeba histolytica hypothetical protein 0.0071 0.1327 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.021 0.0687
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.021 0.0687
Loa Loa (eye worm) hypothetical protein 0.002 0.021 0.024
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.021 0.0804
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.021 0.0687
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.2614 1
Brugia malayi hypothetical protein 0.0071 0.1327 0.1515
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.021 0.024
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.021 0.024
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.021 0.0804
Brugia malayi MH2 domain containing protein 0.0119 0.2382 0.272
Onchocerca volvulus 0.0059 0.1054 0.0862
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.1054 0.3447
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.1007 0.3853
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.1327 0.4336
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.021 0.024
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.1327 0.5075
Schistosoma mansoni nuclear hormone receptor 0.002 0.021 0.0687
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.021 0.0687
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.021 0.0804
Entamoeba histolytica hypothetical protein 0.0071 0.1327 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.1054 0.4034
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.021 0.024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.021 0.024
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.021 0.0687
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.1054 0.3447
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.021 0.024
Brugia malayi Pre-SET motif family protein 0.0409 0.8758 1
Brugia malayi Steroid receptor seven-up type 2 0.002 0.021 0.024
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.1054 0.3447
Echinococcus granulosus FTZ F1 alpha 0.002 0.021 0.0804
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.021 0.024
Schistosoma mansoni hypothetical protein 0.013 0.2614 0.8543
Schistosoma mansoni coup transcription factor 0.002 0.021 0.0687
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.021 0.024
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.1054 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = -3 % Displacement of [3H]paroxetine from SERT in rat cerebral cortex at 100 uM ChEMBL. 20724153

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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