Detailed information for compound 947973

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 268.282 | Formula: C17H13FO2
  • H donors: 0 H acceptors: 1 LogP: 3.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(c1)F
  • InChi: 1S/C17H13FO2/c1-11-5-7-12(8-6-11)15-10-20-17(19)16(15)13-3-2-4-14(18)9-13/h2-9H,10H2,1H3
  • InChiKey: CUMNFYZPSUCGBW-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Echinococcus granulosus nuclear receptor nhr 48 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0131 0.3811 0.4166
Brugia malayi nuclear hormone receptor family member odr-7 0.0117 0.3171 0.3467
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0117 0.3171 0.3171
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0249 0.9148 1
Brugia malayi hypothetical protein 0.0131 0.3811 0.4166
Brugia malayi tailless protein 0.0117 0.3171 0.3467
Loa Loa (eye worm) nuclear hormone receptor 0.0117 0.3171 0.3467
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0249 0.9148 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0249 0.9148 1
Brugia malayi conserved hypotetical protein 0.0117 0.3171 0.3467
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0117 0.3171 0.3467
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0131 0.3811 0.4166
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0249 0.9148 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0249 0.9148 0.9148
Echinococcus granulosus transient receptor potential ion channel A 0.011 0.2814 0.3077
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0131 0.3811 0.4166
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0117 0.3171 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0249 0.9148 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0249 0.9148 1
Brugia malayi nuclear receptor RXR 0.0131 0.3811 0.4166
Loa Loa (eye worm) hypothetical protein 0.0131 0.3811 0.4166
Onchocerca volvulus 0.0117 0.3171 0.3171
Onchocerca volvulus Bile acid receptor homolog 0.0249 0.9148 0.9148
Brugia malayi steroid hormone receptor 0.0249 0.9148 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0249 0.9148 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0249 0.9148 1
Schistosoma mansoni retinoic acid receptor RXR 0.0249 0.9148 1
Brugia malayi Nuclear hormone receptor-like 1 0.0131 0.3811 0.4166
Onchocerca volvulus 0.0249 0.9148 0.9148
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0249 0.9148 1
Onchocerca volvulus 0.0117 0.3171 0.3171
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0249 0.9148 1
Brugia malayi nuclear receptor NHR-67 0.0117 0.3171 0.3467
Schistosoma mansoni transient receptor potential channel 0.0075 0.1242 0.1358
Echinococcus multilocularis transient receptor potential ion channel A 0.011 0.2814 0.3077
Echinococcus granulosus Nuclear hormone receptor HR96 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.9148 1
Schistosoma mansoni nuclear receptor 0.0117 0.3171 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0249 0.9148 1
Brugia malayi nuclear hormone receptor 0.0249 0.9148 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0075 0.1242 0.1358
Brugia malayi nuclear receptor RXR 0.0117 0.3171 0.3467
Schistosoma mansoni steroid hormone receptor ad4bp 0.0249 0.9148 1
Echinococcus granulosus short transient receptor potential channel 6 0.0075 0.1242 0.1358
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0131 0.3811 0.4166
Brugia malayi orphan nuclear receptor NR2E1 0.0117 0.3171 0.3467
Echinococcus granulosus FTZ F1 alpha 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0249 0.9148 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.8523 0.9318
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0249 0.9148 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0249 0.9148 1
Brugia malayi Nuclear hormone receptor-like 1 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.9148 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0249 0.9148 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0249 0.9148 1
Schistosoma mansoni transient receptor potential channel 0.0113 0.2986 0.3264
Brugia malayi photoreceptor-specific nuclear receptor 0.0249 0.9148 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0117 0.3171 0.3467
Onchocerca volvulus Protein ultraspiracle homolog 0.0249 0.9148 0.9148
Schistosoma mansoni nuclear hormone receptor 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0249 0.9148 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0117 0.3171 0.3467
Schistosoma mansoni transient receptor potential channel 4 0.0113 0.2986 0.3264
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0249 0.9148 1
Echinococcus multilocularis FTZ F1 alpha 0.0249 0.9148 1
Schistosoma mansoni zinc finger protein 0.0117 0.3171 0.3467
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0117 0.3171 0.3467
Brugia malayi Nuclear hormone receptor-like 1 0.0131 0.3811 0.4166
Schistosoma mansoni RAR-like nuclear receptor 0.0249 0.9148 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0249 0.9148 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0117 0.3171 0.3467
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0249 0.9148 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0249 0.9148 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0117 0.3171 0.3467
Schistosoma mansoni transient receptor potential channel 0.0075 0.1242 0.1358
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Brugia malayi hypothetical protein 0.0117 0.3171 0.3467
Loa Loa (eye worm) DR-78 0.0117 0.3171 0.3467
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Schistosoma mansoni nuclear hormone receptor 0.0117 0.3171 0.3467
Schistosoma mansoni thyroid hormone receptor 0.0249 0.9148 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0249 0.9148 1
Brugia malayi nuclear receptor NHR-88 0.0117 0.3171 0.3467
Trichomonas vaginalis set domain proteins, putative 0.0268 1 0.5
Schistosoma mansoni nuclear receptor 0.0117 0.3171 0.3467
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.3811 0.4166
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0249 0.9148 1
Echinococcus granulosus ecdysone induced protein 78C 0.0249 0.9148 1
Brugia malayi hypothetical protein 0.0117 0.3171 0.3467
Echinococcus granulosus transient receptor potential gamma protein 0.0113 0.2986 0.3264
Schistosoma mansoni nuclear receptor nhr-48 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Brugia malayi ecdysteroid receptor 0.0249 0.9148 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0249 0.9148 1
Schistosoma mansoni coup transcription factor 0.0249 0.9148 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Echinococcus granulosus Nuclear hormone receptor HR96 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0131 0.3811 0.4166
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.107 0.117
Loa Loa (eye worm) hypothetical protein 0.0249 0.9148 1
Brugia malayi ecdysone receptor 0.0117 0.3171 0.3467
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0249 0.9148 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0249 0.9148 1
Schistosoma mansoni thyroid hormone receptor 0.0249 0.9148 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0249 0.9148 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0117 0.3171 0.3467
Brugia malayi nuclear hormone receptor 0.0117 0.3171 0.3467
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0117 0.3171 0.3467
Brugia malayi Nuclear hormone receptor E75 0.0117 0.3171 0.3467
Brugia malayi nuclear hormone receptor family member nhr-6 0.0117 0.3171 0.3467
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0249 0.9148 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0131 0.3811 0.4166
Brugia malayi Steroid receptor seven-up type 2 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.3811 0.4166
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0249 0.9148 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0249 0.9148 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0075 0.1242 0.1358
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.9148 1
Schistosoma mansoni nuclear hormone receptor 0.0117 0.3171 0.3467
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0249 0.9148 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0117 0.3171 0.3171
Brugia malayi hypothetical protein 0.0131 0.3811 0.4166
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0117 0.3171 0.3467
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0249 0.9148 1
Loa Loa (eye worm) steroid hormone receptor 0.0249 0.9148 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0249 0.9148 1
Echinococcus granulosus short transient receptor potential channel 6 0.0075 0.1242 0.1358
Loa Loa (eye worm) hypothetical protein 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0131 0.3811 0.4166
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0249 0.9148 1
Brugia malayi Pre-SET motif family protein 0.0235 0.8523 0.9318
Brugia malayi nuclear receptor NHR-88 0.0249 0.9148 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0249 0.9148 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0113 0.2986 0.3264
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0249 0.9148 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0117 0.3171 0.3467
Brugia malayi Nuclear hormone receptor E75 0.0117 0.3171 0.3467
Loa Loa (eye worm) hypothetical protein 0.0117 0.3171 0.3467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0249 0.9148 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2986 0.3264

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 25 uM Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay ChEMBL. 25408841
IC50 (binding) > 25 uM Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay ChEMBL. 25408841

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

1 literature reference was collected for this gene.

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