Detailed information for compound 958298

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.089 | Formula: C11H8BrNO5
  • H donors: 0 H acceptors: 3 LogP: 2.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCCOc1cc2ccc(cc2c(=O)o1)[N+](=O)[O-]
  • InChi: 1S/C11H8BrNO5/c12-3-4-17-10-5-7-1-2-8(13(15)16)6-9(7)11(14)18-10/h1-2,5-6H,3-4H2
  • InChiKey: AKRYWCRCWXAMRY-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
Brugia malayi Nuclear hormone receptor E75 0.0048 0.1284 0.1431
Echinococcus granulosus ecdysone induced protein 78C 0.0102 0.5201 0.5797
Echinococcus multilocularis voltage gated potassium channel 0.0045 0.1028 0.1145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0102 0.5201 0.5797
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0102 0.5201 0.5797
Echinococcus granulosus Nuclear hormone receptor HR96 0.0048 0.1284 0.1431
Loa Loa (eye worm) hypothetical protein 0.0102 0.5201 0.5797
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0102 0.5201 0.5201
Brugia malayi nuclear receptor NHR-88 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0054 0.1704 0.1899
Echinococcus multilocularis FTZ F1 alpha 0.0102 0.5201 0.5797
Brugia malayi tailless protein 0.0048 0.1284 0.1431
Brugia malayi nuclear receptor RXR 0.0048 0.1284 0.1431
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0154 0.8972 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0048 0.1284 0.1431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0102 0.5201 0.5797
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0102 0.5201 0.5797
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0102 0.5201 0.5201
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0102 0.5201 0.5797
Loa Loa (eye worm) DR-78 0.0048 0.1284 0.1431
Brugia malayi nuclear receptor NHR-67 0.0048 0.1284 0.1431
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0102 0.5201 0.5797
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0102 0.5201 0.5797
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Loa Loa (eye worm) hypothetical protein 0.0102 0.5201 0.5797
Brugia malayi nuclear hormone receptor family member odr-7 0.0048 0.1284 0.1431
Loa Loa (eye worm) hypothetical protein 0.0054 0.1704 0.1899
Brugia malayi conserved hypotetical protein 0.0048 0.1284 0.1431
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0102 0.5201 0.5797
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0102 0.5201 0.5797
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0102 0.5201 0.5201
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.1028 0.1028
Echinococcus granulosus thyroid hormone receptor alpha 0.0048 0.1284 0.1431
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Brugia malayi hypothetical protein 0.0048 0.1284 0.1431
Schistosoma mansoni nuclear hormone receptor 0.0102 0.5201 0.5201
Schistosoma mansoni nuclear receptor 0.0048 0.1284 0.1284
Brugia malayi orphan nuclear receptor NR2E1 0.0048 0.1284 0.1431
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0154 0.8972 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0102 0.5201 0.5797
Echinococcus granulosus nuclear receptor nhr 48 0.0048 0.1284 0.1431
Brugia malayi hypothetical protein 0.0054 0.1704 0.1899
Loa Loa (eye worm) hypothetical protein 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0054 0.1704 0.1899
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0102 0.5201 0.5797
Brugia malayi nuclear hormone receptor 0.0048 0.1284 0.1431
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.1028 0.1028
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0102 0.5201 0.5797
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0102 0.5201 0.5797
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0102 0.5201 0.5797
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0102 0.5201 0.5797
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.1028 0.1145
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Loa Loa (eye worm) nuclear receptor NHR-67 0.0048 0.1284 0.1431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0102 0.5201 0.5797
Brugia malayi Nuclear hormone receptor E75 0.0048 0.1284 0.1431
Onchocerca volvulus Bile acid receptor homolog 0.0102 0.5201 1
Schistosoma mansoni thyroid hormone receptor 0.0102 0.5201 0.5201
Schistosoma mansoni coup transcription factor 0.0102 0.5201 0.5201
Loa Loa (eye worm) hypothetical protein 0.0054 0.1704 0.1899
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0102 0.5201 0.5797
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0054 0.1704 0.1899
Echinococcus granulosus Nuclear hormone receptor HR96 0.0048 0.1284 0.1431
Loa Loa (eye worm) nuclear hormone receptor 0.0048 0.1284 0.1431
Schistosoma mansoni zinc finger protein 0.0048 0.1284 0.1284
Brugia malayi hypothetical protein 0.0054 0.1704 0.1899
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.1284 0.1431
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0154 0.8972 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0102 0.5201 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0048 0.1284 0.1431
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Schistosoma mansoni voltage-gated potassium channel 0.0168 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0102 0.5201 0.5201
Brugia malayi ecdysone receptor 0.0048 0.1284 0.1431
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0102 0.5201 0.5797
Schistosoma mansoni nuclear hormone receptor 0.0048 0.1284 0.1284
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0102 0.5201 0.5201
Brugia malayi nuclear hormone receptor 0.0102 0.5201 0.5797
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0048 0.1284 0.1431
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0102 0.5201 0.5797
Echinococcus multilocularis thyroid hormone receptor alpha 0.0102 0.5201 0.5797
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0054 0.1704 0.1899
Schistosoma mansoni nuclear hormone receptor 0.0048 0.1284 0.1284
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0048 0.1284 0.1431
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0054 0.1704 0.1704
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0048 0.1284 0.1284
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0102 0.5201 0.5797
Brugia malayi Nuclear hormone receptor-like 1 0.0102 0.5201 0.5797
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0045 0.1028 0.1145
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0054 0.1704 0.1899
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0102 0.5201 0.5797
Onchocerca volvulus 0.0102 0.5201 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Echinococcus multilocularis nuclear receptor nhr 48 0.0048 0.1284 0.1431
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0102 0.5201 0.5797
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0045 0.1028 0.1145
Echinococcus granulosus voltage gated potassium channel 0.0045 0.1028 0.1145
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0102 0.5201 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0102 0.5201 0.5797
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0102 0.5201 0.5797
Schistosoma mansoni RAR-like nuclear receptor 0.0102 0.5201 0.5201
Brugia malayi steroid hormone receptor 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0102 0.5201 0.5797
Loa Loa (eye worm) steroid hormone receptor 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0154 0.8972 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0102 0.5201 0.5797
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0134 0.7495 0.8354
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.1028 0.1145
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0102 0.5201 0.5797
Brugia malayi Steroid receptor seven-up type 2 0.0102 0.5201 0.5797
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0048 0.1284 0.1431
Loa Loa (eye worm) hypothetical protein 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0102 0.5201 0.5797
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0048 0.1284 0.1284
Loa Loa (eye worm) hypothetical protein 0.0102 0.5201 0.5797
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0102 0.5201 0.5797
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0144 0.8236 1
Schistosoma mansoni thyroid hormone receptor 0.0102 0.5201 0.5201
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.1704 0.1899
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0102 0.5201 0.5201
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0048 0.1284 0.1431
Echinococcus granulosus FTZ F1 alpha 0.0102 0.5201 0.5797
Schistosoma mansoni nuclear receptor 0.0048 0.1284 0.1284
Brugia malayi hypothetical protein 0.0048 0.1284 0.1431
Schistosoma mansoni steroid hormone receptor ad4bp 0.0102 0.5201 0.5201
Loa Loa (eye worm) hypothetical protein 0.0054 0.1704 0.1899
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0102 0.5201 0.5797
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0102 0.5201 0.5797
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0102 0.5201 0.5201
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0048 0.1284 0.1431
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0102 0.5201 0.5797
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0054 0.1704 0.1704
Loa Loa (eye worm) hypothetical protein 0.0048 0.1284 0.1431
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.1704 0.1899
Brugia malayi nuclear receptor NHR-88 0.0048 0.1284 0.1431
Brugia malayi ecdysteroid receptor 0.0102 0.5201 0.5797
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.1284 0.1431
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0048 0.1284 0.1431
Brugia malayi nuclear receptor RXR 0.0054 0.1704 0.1899
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0144 0.8236 1
Schistosoma mansoni nuclear receptor nhr-48 0.0048 0.1284 0.1284

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) > 50 % Inhibition of gamma-secretase-mediated betaAPP K670N/M671L mutant cleavage in HEK293 cells assessed as inhibition of amyloid beta40/42 production at 60 uM after 8 hrs by chemiluminescence assay relative to control ChEMBL. 23294826

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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