Detailed information for compound 1187140

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.53 | Formula: C26H32O3
  • H donors: 1 H acceptors: 2 LogP: 8.25 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\COC(=O)c1ccccc1O)/C=C/C=C(/C=C/C1=CCCCC1(C)C)\C
  • InChi: 1S/C26H32O3/c1-20(15-16-22-12-7-8-18-26(22,3)4)10-9-11-21(2)17-19-29-25(28)23-13-5-6-14-24(23)27/h5-6,9-17,27H,7-8,18-19H2,1-4H3/b11-9+,16-15+,20-10+,21-17+
  • InChiKey: LEMLVEPCHJFJCE-DPJCUPPASA-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
Brugia malayi steroid hormone receptor 0.001 0.0342 0.0342
Schistosoma mansoni nuclear hormone receptor 0.001 0.0342 0.0342
Brugia malayi MH2 domain containing protein 0.0128 0.9018 0.9018
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.4815 0.4815
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0342 0.0342
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0342 0.0342
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0342 0.0342
Brugia malayi nuclear hormone receptor 0.001 0.0342 0.0342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0342 0.0342
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0342 0.0342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0342 0.0342
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.2671 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.2671 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0342 0.0342
Brugia malayi MH1 domain containing protein 0.0009 0.0258 0.0258
Schistosoma mansoni hypothetical protein 0.0033 0.2023 0.2023
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0342 0.0342
Schistosoma mansoni smad1 5 8 and 0.0009 0.0258 0.0258
Schistosoma mansoni Smad4 0.0009 0.0258 0.0258
Brugia malayi Latrophilin receptor protein 2 0.0033 0.2023 0.2023
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0258 0.0266
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0342 0.0352
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0342 0.0342
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0342 0.0342
Brugia malayi nuclear receptor NHR-88 0.001 0.0342 0.0342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.001 0.0342 0.0342
Echinococcus granulosus Smad4 0.0009 0.0258 0.0266
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.2023 0.2023
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.2023 0.2084
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0342 0.0342
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0258 0.0258
Loa Loa (eye worm) hypothetical protein 0.001 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.0104 0.722 0.722
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.2416 0.5
Brugia malayi MH1 domain containing protein 0.0009 0.0258 0.0258
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0342 0.0342
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.2671 0.5
Echinococcus multilocularis GPCR, family 2 0.0033 0.2023 0.2023
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0342 0.0342
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.2023 0.2023
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0342 0.0352
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.2671 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0342 0.0342
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.2671 0.5
Schistosoma mansoni thyroid hormone receptor 0.001 0.0342 0.0342
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0342 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0258 0.0258
Echinococcus granulosus FTZ F1 alpha 0.001 0.0342 0.0352
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0342 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0342 0.0342
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0342 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0342 0.0352
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0342 0.0342
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.722 0.722
Loa Loa (eye worm) hypothetical protein 0.001 0.0342 0.0342
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0342 0.0342
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.2671 0.2751
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.9018 0.9018
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0342 0.0342
Schistosoma mansoni hypothetical protein 0.0033 0.2023 0.2023
Schistosoma mansoni hypothetical protein 0.0071 0.4815 0.4815
Schistosoma mansoni hypothetical protein 0.0033 0.2023 0.2023
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0342 0.0342
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0342 0.0342
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.722 0.722
Echinococcus granulosus GPCR family 2 0.0033 0.2023 0.2084
Loa Loa (eye worm) hypothetical protein 0.001 0.0342 0.0342
Schistosoma mansoni hypothetical protein 0.0033 0.2023 0.2023
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0342 0.0342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.001 0.0342 0.0342
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.2416 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0342 0.0342
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0342 0.0342
Brugia malayi MH2 domain containing protein 0.0009 0.0258 0.0258
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.9709 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0258 0.0258
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0342 0.0342
Echinococcus multilocularis Smad4 0.0009 0.0258 0.0258
Brugia malayi ecdysteroid receptor 0.001 0.0342 0.0342
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0342 0.0342
Schistosoma mansoni smad 0.0009 0.0258 0.0258
Loa Loa (eye worm) Smad1 0.0009 0.0258 0.0258
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0342 0.0352
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0342 0.0342
Brugia malayi MH2 domain containing protein 0.0009 0.0258 0.0258
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.001 0.0342 0.0342
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0258 0.0266
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0342 0.0342
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.2416 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0342 0.0342
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.2023 0.2023
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0342 0.0342
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0342 0.0342
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0258 0.0258
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0258 0.0258
Echinococcus multilocularis smad 0.0009 0.0258 0.0258
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0342 0.0342
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.001 0.0342 0.0342
Schistosoma mansoni smad1 5 8 and 0.0009 0.0258 0.0258
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0342 0.0342
Schistosoma mansoni smad1 5 8 and 0.0009 0.0258 0.0258
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.2023 0.2023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0342 0.0342
Brugia malayi Smad1 0.0009 0.0258 0.0258
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.722 0.722
Loa Loa (eye worm) hypothetical protein 0.0033 0.2023 0.2023
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0342 0.0352
Loa Loa (eye worm) hypothetical protein 0.0071 0.4815 0.4815
Onchocerca volvulus 0.001 0.0342 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.9018 0.9018
Echinococcus granulosus smad 0.0009 0.0258 0.0266
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0342 0.0352
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.2023 0.2084
Loa Loa (eye worm) hypothetical protein 0.001 0.0342 0.0342
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0342 0.0342
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0342 0.0352
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0342 0.0342
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0342 0.0352
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0342 0.0342
Schistosoma mansoni thyroid hormone receptor 0.001 0.0342 0.0342
Schistosoma mansoni coup transcription factor 0.001 0.0342 0.0342
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0342 0.0342
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0342 0.0342

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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