Detailed information for compound 1636671

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.363 | Formula: C21H18O8
  • H donors: 0 H acceptors: 1 LogP: 2.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)OC1=C(C2c2cc(OC)c3c(c2OC)OCO3)C(=O)OC1
  • InChi: 1S/C21H18O8/c1-23-10-4-5-11-13(6-10)29-15-8-26-21(22)17(15)16(11)12-7-14(24-2)19-20(18(12)25-3)28-9-27-19/h4-7,16H,8-9H2,1-3H3
  • InChiKey: RBOAKPUWPBGXKH-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 guanine nucleotide binding protein G(s) subunit 0.0053 0.7779 0.7779
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0918 0.0918
Onchocerca volvulus 0.0066 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0918 0.0918
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.7779 0.7779
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0918 0.0918
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.7779 0.7779
Trichomonas vaginalis Clan IH, family I25, phytocystatin-like peptidase inhibitor 0.0066 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0918 0.0918
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0918 0.0918
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0918 0.0918
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0012 0.0918 0.0918
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0918 0.0918
Brugia malayi cathepsin F-like cysteine proteinase 0.0066 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0918 0.0918
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0918 0.0918
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0918 0.0918
Onchocerca volvulus 0.0066 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 1 1
Loa Loa (eye worm) cysteine protease inhibitor 0.0066 1 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0066 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.7779 0.7779
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0918 0.0918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0918 0.0918
Loa Loa (eye worm) cystatin-type cysteine proteinase inhibitor CPI-1 0.0066 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0918 0.0918
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0918 0.0918
Brugia malayi ecdysteroid receptor 0.0012 0.0918 0.0918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0918 0.0918
Schistosoma mansoni hypothetical protein 0.0066 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0918 0.0918
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0918 0.0918
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0918 0.0918
Schistosoma mansoni cystatin B 0.0066 1 1
Echinococcus granulosus Cystatin B Stefin B 0.0066 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0918 0.0918
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0012 0.0918 0.0918
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.7779 0.7779
Brugia malayi nuclear receptor NHR-88 0.0012 0.0918 0.0918
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0012 0.0918 0.0918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0918 0.0918
Onchocerca volvulus 0.0066 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0918 0.0918
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0918 0.0918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0918 0.0918
Brugia malayi steroid hormone receptor 0.0012 0.0918 0.0918
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0918 0.0918
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.7779 0.7779
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.7779 0.7779
Brugia malayi cystatin-type cysteine proteinase inhibitor CPI-2, putative 0.0066 1 1
Schistosoma mansoni hypothetical protein 0.0066 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0918 0.0918
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0918 0.0918
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0012 0.0918 0.0918
Onchocerca volvulus 0.0066 1 1
Echinococcus multilocularis proteinase inhibitor I25, cystatin 0.0066 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0918 0.0918
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0012 0.0918 0.0918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0918 0.0918
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0918 0.0918
Echinococcus granulosus proteinase inhibitor I25 cystatin 0.0066 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0918 0.0918
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0918 0.0918
Echinococcus multilocularis Cystatin B (Stefin B) 0.0066 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0012 0.0918 0.0918
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0918 0.0918
Loa Loa (eye worm) cystatin 0.0066 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.7779 0.7779
Brugia malayi nuclear hormone receptor 0.0012 0.0918 0.0918
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0918 0.0918
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.7779 0.7779
Schistosoma mansoni coup transcription factor 0.0012 0.0918 0.0918
Onchocerca volvulus 0.0066 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0918 0.0918
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0012 0.0918 0.0918
Brugia malayi cystatin 0.0066 1 1
Onchocerca volvulus 0.0066 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0918 0.0918
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0918 0.0918
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0918 0.0918
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0918 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0918 0.0918

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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