Detailed information for compound 933203

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.303 | Formula: C22H20BrNO3
  • H donors: 1 H acceptors: 2 LogP: 3.92 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1C2=C(C(=O)OC2)C(c2c1cc1CCCc1c2)c1cccc(c1)Br
  • InChi: 1S/C22H20BrNO3/c23-16-6-2-5-15(9-16)20-17-10-13-3-1-4-14(13)11-18(17)24(7-8-25)19-12-27-22(26)21(19)20/h2,5-6,9-11,20,25H,1,3-4,7-8,12H2
  • InChiKey: OMVBTQBLPPMCEI-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi nuclear receptor RXR 0.0251 0.4898 0.4833
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Brugia malayi ecdysone receptor 0.0224 0.4286 0.4214
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0062 0.5
Brugia malayi nuclear receptor NHR-88 0.0224 0.4286 0.4214
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0475 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0475 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0475 1 1
Schistosoma mansoni coup transcription factor 0.0475 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0475 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0475 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0224 0.4286 0.4214
Schistosoma mansoni thyroid hormone receptor 0.0475 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0224 0.4286 0.4286
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0475 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0475 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0224 0.4286 0.4214
Brugia malayi photoreceptor-specific nuclear receptor 0.0475 1 1
Brugia malayi nuclear receptor NHR-67 0.0224 0.4286 0.4214
Echinococcus granulosus Nuclear hormone receptor HR96 0.0224 0.4286 0.4214
Loa Loa (eye worm) nuclear receptor NHR-67 0.0224 0.4286 0.4286
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0251 0.4898 0.4788
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Brugia malayi nuclear hormone receptor 0.0475 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0475 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0224 0.4286 0.4214
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0124 0.0124
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0251 0.4898 0.4898
Brugia malayi hypothetical protein 0.0251 0.4898 0.4833
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Schistosoma mansoni zinc finger protein 0.0224 0.4286 0.4163
Loa Loa (eye worm) hypothetical protein 0.0251 0.4898 0.4898
Brugia malayi Nuclear hormone receptor-like 1 0.0251 0.4898 0.4833
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0224 0.4286 0.4214
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0475 1 1
Schistosoma mansoni nuclear hormone receptor 0.0224 0.4286 0.4163
Schistosoma mansoni nuclear hormone receptor 0.0475 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0475 1 1
Brugia malayi hypothetical protein 0.0224 0.4286 0.4214
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0224 0.4286 0.4214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0475 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0475 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0224 0.4286 0.4163
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0251 0.4898 0.4833
Brugia malayi nuclear hormone receptor family member odr-7 0.0224 0.4286 0.4214
Echinococcus granulosus nuclear receptor nhr 48 0.0224 0.4286 0.4214
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0475 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0251 0.4898 0.4898
Schistosoma mansoni nuclear hormone receptor 0.0224 0.4286 0.4163
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0475 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0475 1 1
Schistosoma mansoni nuclear receptor 0.0224 0.4286 0.4163
Echinococcus granulosus FTZ F1 alpha 0.0475 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0475 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0475 1 1
Brugia malayi tailless protein 0.0224 0.4286 0.4214
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0475 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0251 0.4898 0.4788
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0475 1 1
Brugia malayi hypothetical protein 0.0224 0.4286 0.4214
Loa Loa (eye worm) DR-78 0.0224 0.4286 0.4286
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0475 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0475 1 1
Brugia malayi Nuclear hormone receptor E75 0.0224 0.4286 0.4214
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0224 0.4286 0.4214
Brugia malayi Nuclear hormone receptor E75 0.0224 0.4286 0.4214
Brugia malayi steroid hormone receptor 0.0475 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0224 0.4286 0.4214
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0224 0.4286 0.4163
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0475 1 1
Brugia malayi nuclear hormone receptor 0.0224 0.4286 0.4214
Schistosoma mansoni nuclear receptor 0.0224 0.4286 0.4163
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0224 0.4286 0.4214
Schistosoma mansoni thyroid hormone receptor 0.0475 1 1
Brugia malayi nuclear receptor RXR 0.0224 0.4286 0.4214
Echinococcus multilocularis ecdysone induced protein 78C 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Loa Loa (eye worm) hypothetical protein 0.0251 0.4898 0.4898
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0475 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0475 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0475 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0224 0.4286 0.4214
Schistosoma mansoni RAR-like nuclear receptor 0.0475 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0475 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Brugia malayi conserved hypotetical protein 0.0224 0.4286 0.4214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0224 0.4286 0.4214
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0475 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0224 0.4286 0.4214
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0251 0.4898 0.4833
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0062 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0475 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0475 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0224 0.4286 0.4214
Onchocerca volvulus Protein ultraspiracle homolog 0.0475 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0475 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0475 1 1
Onchocerca volvulus 0.0475 1 1
Brugia malayi nuclear receptor NHR-88 0.0475 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0224 0.4286 0.4163
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0224 0.4286 0.4214
Loa Loa (eye worm) hypothetical protein 0.0251 0.4898 0.4898
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0475 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0475 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0475 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0224 0.4286 0.4286
Loa Loa (eye worm) steroid hormone receptor 0.0475 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0475 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0475 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0475 1 1
Brugia malayi hypothetical protein 0.0251 0.4898 0.4833
Loa Loa (eye worm) hypothetical protein 0.0251 0.4898 0.4898
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Loa Loa (eye worm) hypothetical protein 0.0224 0.4286 0.4286
Brugia malayi Nuclear hormone receptor-like 1 0.0251 0.4898 0.4833

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.

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