Detailed information for compound 956868

Basic information

Technical information
  • TDR Targets ID: 956868
  • Name: (E)-1-[2,4-dihydroxy-3-[(2S,4R,6S)-2-(4-hydro xyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4- yl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop- 2-en-1-one
  • MW: 582.64 | Formula: C35H34O8
  • H donors: 5 H acceptors: 6 LogP: 6.74 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)[C@@H]1C[C@H](CCc2ccc(cc2)O)O[C@@H](C1)c1ccc(cc1)O
  • InChi: 1S/C35H34O8/c1-42-32-20-30(40)33(35(41)34(32)29(39)17-7-22-4-12-26(37)13-5-22)24-18-28(16-6-21-2-10-25(36)11-3-21)43-31(19-24)23-8-14-27(38)15-9-23/h2-5,7-15,17,20,24,28,31,36-38,40-41H,6,16,18-19H2,1H3/b17-7+/t24-,28+,31+/m1/s1
  • InChiKey: LPRJKEYEZOKENY-VKTVXKIRSA-N  

Network

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Synonyms

  • (E)-1-[2,4-dihydroxy-3-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydropyran-4-yl]-6-methoxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (E)-1-[2,4-dihydroxy-3-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]-4-tetrahydropyranyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (E)-1-[2,4-dihydroxy-3-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

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 thyroid hormone receptor alpha 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.1747 0.1747
Echinococcus multilocularis cationic amino acid transporter 0.0026 1 1
Schistosoma mansoni cationic amino acid transporter 0.0026 1 1
Echinococcus multilocularis cationic amino acid transporter 0.0026 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.1747 0.1747
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.1747 0.1747
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.1747 0.1747
Echinococcus granulosus cationic amino acid transporter 0.0024 0.91 0.91
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.1747 0.1747
Brugia malayi steroid hormone receptor 0.0008 0.1747 0.1747
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.1747 0.1747
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.1747 0.1747
Brugia malayi ecdysteroid receptor 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.1747 0.1747
Brugia malayi nuclear hormone receptor 0.0008 0.1747 0.1747
Loa Loa (eye worm) hypothetical protein 0.0008 0.1747 0.1747
Schistosoma mansoni thyroid hormone receptor 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.1747 0.1747
Loa Loa (eye worm) hypothetical protein 0.0008 0.1747 0.1747
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.1747 0.1747
Echinococcus multilocularis amino acids transporter 0.0026 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.1747 0.1747
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.1747 0.1747
Loa Loa (eye worm) amino acid permease 0.0026 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.1747 0.1747
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.1747 0.1747
Loa Loa (eye worm) hypothetical protein 0.0008 0.1747 0.1747
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.1747 0.1747
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.1747 0.1747
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.1747 0.1747
Schistosoma mansoni coup transcription factor 0.0008 0.1747 0.1747
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.1747 0.1747
Echinococcus multilocularis Large neutral amino acids transporter small 0.0026 1 1
Loa Loa (eye worm) amino acid permease 0.0026 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.1747 0.1747
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.1747 0.1747
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.1747 0.1747
Schistosoma mansoni cationic amino acid transporter 0.0026 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.1747 0.1747
Echinococcus granulosus amino acids transporter 0.0026 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.1747 0.1747
Loa Loa (eye worm) hypothetical protein 0.0008 0.1747 0.1747
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.1747 0.1747
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.1747 0.1747
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.1747 0.1747
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.1747 0.1747
Echinococcus granulosus yl amino acid transporter 2 0.0026 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.1747 0.1747
Brugia malayi Amino acid permease family protein 0.0026 1 1
Schistosoma mansoni cationic amino acid transporter 0.0026 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.1747 0.1747
Loa Loa (eye worm) hypothetical protein 0.0008 0.1747 0.1747
Schistosoma mansoni thyroid hormone receptor 0.0008 0.1747 0.1747
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.1747 0.1747
Echinococcus multilocularis amino acid permease 0.0026 1 1
Echinococcus multilocularis Large neutral amino acids transporter small 0.0026 1 1
Brugia malayi nuclear receptor NHR-88 0.0008 0.1747 0.1747
Echinococcus granulosus cationic amino acid transporter 0.0026 1 1
Echinococcus granulosus Large neutral amino acids transporter small 0.0026 1 1
Echinococcus granulosus FTZ F1 alpha 0.0008 0.1747 0.1747
Schistosoma mansoni nuclear hormone receptor 0.0008 0.1747 0.1747
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.1747 0.1747
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.1747 0.1747
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.1747 0.1747
Onchocerca volvulus 0.0026 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.1747 0.1747
Loa Loa (eye worm) hypothetical protein 0.0008 0.1747 0.1747
Schistosoma mansoni cationic amino acid transporter 0.0026 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.1747 0.1747
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.1747 0.1747
Loa Loa (eye worm) hypothetical protein 0.0008 0.1747 0.1747
Entamoeba histolytica amino acid permease, putative 0.0026 1 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.1747 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.1747 0.1747
Echinococcus multilocularis y+l amino acid transporter 2 0.0026 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.1747 0.1747
Echinococcus granulosus 5'partial|cationic amino acid transporter 0.0024 0.91 0.91
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.1747 0.1747
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.1747 0.1747
Echinococcus multilocularis cationic amino acid transporter 0.0026 1 1
Echinococcus multilocularis cationic amino acid transporter 0.0024 0.91 0.91
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.1747 0.1747
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.1747 0.1747

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 10.4 uM Cytotoxicity against human HT1080 cells by MTT assay ChEMBL. 11430002

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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