Detailed information for compound 1703884

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.392 | Formula: C23H18FNO3
  • H donors: 1 H acceptors: 1 LogP: 3.74 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1OC(=C(c2c1cc(F)cc2)c1ccc(cc1)C(=O)N)c1ccccc1
  • InChi: 1S/C23H18FNO3/c1-27-23-19-13-17(24)11-12-18(19)20(14-7-9-16(10-8-14)22(25)26)21(28-23)15-5-3-2-4-6-15/h2-13,23H,1H3,(H2,25,26)
  • InChiKey: KIZIQJFJKCXQAA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 granulosus FTZ F1 alpha 0.0033 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.0302 0.0302
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0033 0.0302 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.0302 0.0302
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.0302 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0033 0.0302 0.0302
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.0302 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0302 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0302 1
Schistosoma mansoni thyroid hormone receptor 0.0033 0.0302 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.0302 0.0302
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.0302 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.0302 1
Loa Loa (eye worm) hypothetical protein 0.054 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.0302 1
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.0302 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0033 0.0302 0.0302
Echinococcus multilocularis thyroid hormone receptor alpha 0.0033 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0302 0.0302
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.0302 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.0302 0.0302
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.0302 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.0302 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.0302 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.0302 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.0302 0.0302
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0033 0.0302 0.0302
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0302 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0033 0.0302 0.0302
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0033 0.0302 0.0302
Schistosoma mansoni thyroid hormone receptor 0.0033 0.0302 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0033 0.0302 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.0302 0.0302
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.0302 1
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.0302 0.0302
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0033 0.0302 1
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0302 1
Brugia malayi nuclear receptor NHR-88 0.0033 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.0302 0.0302
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0302 1
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.0302 0.0302
Brugia malayi nuclear hormone receptor 0.0033 0.0302 0.0302
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0033 0.0302 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.0302 0.0302
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0302 0.0302
Schistosoma mansoni coup transcription factor 0.0033 0.0302 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.0302 1
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.0302 1
Brugia malayi steroid hormone receptor 0.0033 0.0302 0.0302
Onchocerca volvulus Bile acid receptor homolog 0.054 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.0302 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0302 0.0302
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0302 0.0302
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0302 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.