Detailed information for compound 1218014

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.543 | Formula: C23H35N3O2
  • H donors: 1 H acceptors: 1 LogP: 3.87 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)CCCCNC(=O)C1CC2CC1CC2
  • InChi: 1S/C23H35N3O2/c1-28-22-7-3-2-6-21(22)26-14-12-25(13-15-26)11-5-4-10-24-23(27)20-17-18-8-9-19(20)16-18/h2-3,6-7,18-20H,4-5,8-17H2,1H3,(H,24,27)
  • InChiKey: YZCKPGFZFNXGTL-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 0.0011 0.1613 0.1613
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.1613 0.1613
Brugia malayi steroid hormone receptor 0.0011 0.1613 0.1613
Loa Loa (eye worm) hypothetical protein 0.0011 0.1613 0.1613
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.1613 0.1613
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.1613 0.1613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.1613 0.1613
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.1613 0.1613
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.1613 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.1613 0.1613
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 1 1
Schistosoma mansoni coup transcription factor 0.0011 0.1613 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.1613 0.1613
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.1613 0.1613
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.1613 0.1613
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.1613 0.1613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.1613 0.1613
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.1613 0.1613
Brugia malayi ecdysteroid receptor 0.0011 0.1613 0.1613
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.1613 0.1613
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.1613 0.1613
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.1613 0.1613
Loa Loa (eye worm) hypothetical protein 0.0011 0.1613 0.1613
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.1613 0.1613
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.1613 0.1613
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.1613 0.1613
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.1613 1
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.1613 0.1613
Loa Loa (eye worm) hypothetical protein 0.0011 0.1613 0.1613
Onchocerca volvulus 0.0011 0.1613 1
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.1613 1
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0036 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.1613 0.1613
Schistosoma mansoni thyroid hormone receptor 0.0011 0.1613 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.1613 0.1613
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.1613 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.1613 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.1613 1
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.1613 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.1613 0.1613
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.1613 0.1613
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.1613 0.1613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.1613 0.1613
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.1613 0.1613
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.1613 0.1613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.1613 0.1613
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.1613 1
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.1613 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.1613 0.1613
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.1613 0.1613
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.1613 0.1613
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.1613 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.1613 1
Echinococcus granulosus FTZ F1 alpha 0.0011 0.1613 0.1613
Loa Loa (eye worm) hypothetical protein 0.0011 0.1613 0.1613
Schistosoma mansoni nuclear hormone receptor 0.0011 0.1613 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.1613 0.1613
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.1613 0.1613
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0036 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.1613 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.1613 0.1613
Loa Loa (eye worm) hypothetical protein 0.0011 0.1613 0.1613
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.1613 0.1613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.1613 0.1613
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.1613 0.1613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.1613 0.1613
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0036 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.1613 0.1613
Toxoplasma gondii Erv1 / Alr family protein 0.0036 1 1
Brugia malayi nuclear hormone receptor 0.0011 0.1613 0.1613
Schistosoma mansoni thyroid hormone receptor 0.0011 0.1613 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 1 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0036 1 1
Loa Loa (eye worm) hepatopoietin HPO2 0.0036 1 1
Toxoplasma gondii Erv1 / Alr family protein 0.0036 1 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.1613 0.1613
Leishmania major hypothetical protein, conserved 0.0036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.1613 0.1613
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.1613 0.1613
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.1613 0.1613
Brugia malayi nuclear receptor NHR-88 0.0011 0.1613 0.1613

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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