Detailed information for compound 330186

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.384 | Formula: C20H20N2O4
  • H donors: 2 H acceptors: 2 LogP: 3.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)O)c1[nH]nc(c1c1ccc2c(c1)OCCCO2)C
  • InChi: 1S/C20H20N2O4/c1-12-19(13-4-7-17-18(10-13)26-9-3-8-25-17)20(22-21-12)15-6-5-14(24-2)11-16(15)23/h4-7,10-11,23H,3,8-9H2,1-2H3,(H,21,22)
  • InChiKey: UMTVUIVCCWBBHM-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
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0039 0.5433 0.5433
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0039 0.5433 0.5433
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.5433 0.5433
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0054 1 1
Schistosoma mansoni glutamate receptor AMPA 0.0054 1 1
Schistosoma mansoni nuclear hormone receptor 0.0039 0.5433 0.5433
Loa Loa (eye worm) steroid hormone receptor 0.0039 0.5433 0.5433
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0039 0.5433 1
Brugia malayi Cation transporter family protein 0.0036 0.4697 0.4697
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0036 0.4697 0.4697
Echinococcus granulosus ecdysone induced protein 78C 0.0039 0.5433 0.5433
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0039 0.5433 0.5433
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039 0.5433 0.5433
Onchocerca volvulus Protein ultraspiracle homolog 0.0039 0.5433 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039 0.5433 0.5433
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0039 0.5433 0.5433
Loa Loa (eye worm) hypothetical protein 0.0036 0.4697 0.4697
Brugia malayi photoreceptor-specific nuclear receptor 0.0039 0.5433 0.5433
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039 0.5433 0.5433
Brugia malayi Steroid receptor seven-up type 2 0.0039 0.5433 0.5433
Loa Loa (eye worm) hypothetical protein 0.0039 0.5433 0.5433
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.5433 0.5433
Schistosoma mansoni ATP-binding cassette transporter 0.0054 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0039 0.5433 0.5433
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0039 0.5433 0.5433
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0039 0.5433 0.5433
Echinococcus multilocularis glutamate receptor 2 0.0034 0.4048 0.4048
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0054 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0039 0.5433 0.5433
Echinococcus multilocularis thyroid hormone receptor alpha 0.0039 0.5433 0.5433
Echinococcus granulosus glutamate receptor 2 0.0034 0.4048 0.4048
Loa Loa (eye worm) hypothetical protein 0.0039 0.5433 0.5433
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039 0.5433 0.5433
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0039 0.5433 0.5433
Echinococcus granulosus glutamate NMDA receptor subunit 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.5433 0.5433
Loa Loa (eye worm) hypothetical protein 0.0034 0.3953 0.3953
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.5433 0.5433
Schistosoma mansoni glutamate receptor kainate 0.0054 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0039 0.5433 0.5433
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0039 0.5433 0.5433
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.5433 0.5433
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0039 0.5433 0.5433
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0039 0.5433 0.5433
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0039 0.5433 0.5433
Echinococcus multilocularis FTZ F1 alpha 0.0039 0.5433 0.5433
Schistosoma mansoni retinoic acid receptor RXR 0.0039 0.5433 0.5433
Brugia malayi nuclear hormone receptor 0.0039 0.5433 0.5433
Echinococcus granulosus FTZ F1 alpha 0.0039 0.5433 0.5433
Loa Loa (eye worm) hypothetical protein 0.0039 0.5433 0.5433
Schistosoma mansoni glutamate receptor kainate 0.0054 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0054 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0039 0.5433 0.5433
Brugia malayi Glutamate receptor 2 precursor 0.0054 1 1
Loa Loa (eye worm) glutamate receptor 2 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.5433 0.5433
Schistosoma mansoni glutamate receptor kainate 0.0054 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0039 0.5433 0.5433
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0054 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0039 0.5433 0.5433
Onchocerca volvulus Bile acid receptor homolog 0.0039 0.5433 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0054 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0039 0.5433 0.5433
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0039 0.5433 0.5433
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0039 0.5433 0.5433
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0054 1 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.4697 0.4697
Schistosoma mansoni RAR-like nuclear receptor 0.0039 0.5433 0.5433
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0039 0.5433 0.5433
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0036 0.4697 0.4697
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0039 0.5433 0.5433
Echinococcus multilocularis ecdysone induced protein 78C 0.0039 0.5433 0.5433
Loa Loa (eye worm) hypothetical protein 0.0039 0.5433 0.5433
Schistosoma mansoni coup transcription factor 0.0039 0.5433 0.5433
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0039 0.5433 0.5433
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0039 0.5433 0.5433
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0039 0.5433 0.5433
Brugia malayi steroid hormone receptor 0.0039 0.5433 0.5433
Echinococcus granulosus glutamate receptor 2 0.0054 1 1
Schistosoma mansoni thyroid hormone receptor 0.0039 0.5433 0.5433
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0039 0.5433 0.5433
Onchocerca volvulus 0.0039 0.5433 1
Loa Loa (eye worm) glutamate receptor 1 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.5433 0.5433
Echinococcus multilocularis glutamate receptor 2 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.5433 0.5433
Schistosoma mansoni glutamate receptor AMPA 0.0054 1 1
Schistosoma mansoni glutamate receptor NMDA 0.0054 1 1
Echinococcus multilocularis glutamate receptor 2 0.0054 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039 0.5433 0.5433
Brugia malayi nuclear receptor NHR-88 0.0039 0.5433 0.5433
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0039 0.5433 0.5433
Brugia malayi ecdysteroid receptor 0.0039 0.5433 0.5433
Schistosoma mansoni thyroid hormone receptor 0.0039 0.5433 0.5433
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039 0.5433 0.5433
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.5433 0.5433
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.5433 0.5433
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0054 1 1
Schistosoma mansoni glutamate receptor NMDA 0.0054 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0039 0.5433 0.5433
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0039 0.5433 0.5433
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0054 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 25 % Inhibition of yeast Hsp90 ATPase activity at 40 uM ChEMBL. 15955698
Inhibition (functional) = 25 % Inhibition of yeast Hsp90 ATPase activity at 40 uM ChEMBL. 15955698

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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