Detailed information for compound 1814283

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 622.79 | Formula: C40H46O6
  • H donors: 0 H acceptors: 4 LogP: 6.02 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1CC(C)(C)CC2=C1C(c1cccc(c1)C1C3=C(OC4=C1C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)C1=C(O2)CC(CC1=O)(C)C
  • InChi: 1S/C40H46O6/c1-37(2)13-23(41)33-27(17-37)45-28-18-38(3,4)14-24(42)34(28)31(33)21-10-9-11-22(12-21)32-35-25(43)15-39(5,6)19-29(35)46-30-20-40(7,8)16-26(44)36(30)32/h9-12,31-32H,13-20H2,1-8H3
  • InChiKey: YXUOPOFKPBOORM-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
Brugia malayi Steroid receptor seven-up type 2 0.0806 1 1
Schistosoma mansoni nuclear hormone receptor 0.0806 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0535 0.2866 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0806 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0806 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0806 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0806 1 1
Echinococcus granulosus FTZ F1 alpha 0.0806 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0806 1 1
Echinococcus granulosus lysosomal protective protein 0.0535 0.2866 0.2866
Schistosoma mansoni thyroid hormone receptor 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0806 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0806 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0806 1 1
Brugia malayi nuclear hormone receptor 0.0806 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0535 0.2866 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0806 1 1
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0535 0.2866 0.2866
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0806 1 1
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0535 0.2866 0.2866
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0806 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0806 1 1
Schistosoma mansoni coup transcription factor 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0806 1 1
Echinococcus multilocularis lysosomal protective protein 0.0535 0.2866 0.2866
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0806 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0806 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0806 1 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0482 0.1476 0.1476
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0535 0.2866 0.5
Brugia malayi nuclear receptor NHR-88 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0806 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0806 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0806 1 1
Schistosoma mansoni thyroid hormone receptor 0.0806 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0535 0.2866 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0806 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0806 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0806 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0806 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0806 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0806 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0806 1 1
Onchocerca volvulus Bile acid receptor homolog 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-40 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0806 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0806 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0535 0.2866 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.2866 0.2866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0806 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0806 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0806 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0806 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0806 1 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0535 0.2866 0.2866
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0806 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0806 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0806 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0806 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0806 1 1
Brugia malayi steroid hormone receptor 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0806 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0806 1 1
Onchocerca volvulus 0.0806 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0535 0.2866 0.5
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0535 0.2866 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0806 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0535 0.2866 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0806 1 1

Activities

Activity type Activity value Assay description Source 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) Antifungal activity against Candida albicans ATCC 10231 at 20 ug/disk after 48 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
IZ (functional) = 7 mm Antibacterial activity against Escherichia coli ATCC 25922 at 40 ug/disk after 24 hr by disk-diffusion method ChEMBL. No reference
IZ (functional) = 8 mm Antibacterial activity against Escherichia coli ATCC 25922 at 140 ug/disk after 24 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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