Detailed information for compound 1814313

Basic information

Technical information
  • TDR Targets ID: 1814313
  • Name: 9-[3-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xant hen-9-yl)phenyl]-3,4,5,6,7,9-hexahydro-2H-xan thene-1,8-dione
  • MW: 510.577 | Formula: C32H30O6
  • H donors: 0 H acceptors: 4 LogP: 2.69 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1CCCC2=C1C(c1cccc(c1)C1C3=C(CCCC3=O)OC3=C1C(=O)CCC3)C1=C(O2)CCCC1=O
  • InChi: 1S/C32H30O6/c33-19-8-2-12-23-29(19)27(30-20(34)9-3-13-24(30)37-23)17-6-1-7-18(16-17)28-31-21(35)10-4-14-25(31)38-26-15-5-11-22(36)32(26)28/h1,6-7,16,27-28H,2-5,8-15H2
  • InChiKey: QYPITAFWYLOGKC-UHFFFAOYSA-N  

Network

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Synonyms

  • 9-[3-(1,8-diketo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone

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 Nuclear hormone receptor family member nhr 41 0.0806 1 1
Schistosoma mansoni nuclear hormone receptor 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0806 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0806 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0806 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0806 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0806 1 1
Schistosoma mansoni coup transcription factor 0.0806 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0806 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0806 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0535 0.2866 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0806 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0806 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0806 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.2866 0.2866
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Onchocerca volvulus 0.0806 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0806 1 1
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0535 0.2866 0.2866
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0806 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0806 1 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0482 0.1476 0.1476
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0535 0.2866 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0806 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0806 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0806 1 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0535 0.2866 0.2866
Loa Loa (eye worm) steroid hormone receptor 0.0806 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0806 1 1
Schistosoma mansoni thyroid hormone receptor 0.0806 1 1
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0482 0.1476 0.1476
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0806 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0806 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0806 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0535 0.2866 0.5
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0806 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0535 0.2866 0.5
Schistosoma mansoni thyroid hormone receptor 0.0806 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0806 1 1
Echinococcus granulosus FTZ F1 alpha 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0806 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0535 0.2866 0.5
Brugia malayi steroid hormone receptor 0.0806 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0806 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0806 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0806 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0806 1 1
Brugia malayi nuclear hormone receptor 0.0806 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0806 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0806 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0535 0.2866 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0806 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0806 1 1
Brugia malayi nuclear receptor NHR-88 0.0806 1 1
Echinococcus multilocularis lysosomal protective protein 0.0535 0.2866 0.2866
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0806 1 1
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0535 0.2866 0.2866
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0806 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0535 0.2866 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0806 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0806 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0806 1 1
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0535 0.2866 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0806 1 1
Echinococcus granulosus lysosomal protective protein 0.0535 0.2866 0.2866
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0806 1 1

Activities

Activity type Activity value Assay description Source Reference
DIZ (functional) Antibacterial activity against Escherichia coli ATCC 25922 at 40 ug/disk after 24 hr by disk-diffusion method ChEMBL. No reference
DIZ (functional) Antifungal activity against Candida albicans ATCC 10231 at 20 ug/disk after 48 hr by disk-diffusion method ChEMBL. No reference
DIZ (functional) Antibacterial activity against Escherichia coli ATCC 25922 at 20 ug/disk after 24 hr by disk-diffusion method ChEMBL. No reference
DIZ (functional) Antibacterial activity against Escherichia coli ATCC 25922 at 140 ug/disk after 24 hr by disk-diffusion method ChEMBL. No reference
IZ (functional) = 7 mm Antifungal activity against Candida albicans ATCC 10231 at 140 ug/disk after 48 hr by disk-diffusion method ChEMBL. No reference
IZ (functional) = 7 mm Antifungal activity against Candida albicans ATCC 10231 at 40 ug/disk after 48 hr by disk-diffusion method ChEMBL. No reference

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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