Detailed information for compound 806653

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.526 | Formula: C26H29N3O4
  • H donors: 2 H acceptors: 3 LogP: 3.96 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)[C@H](NC(=O)c1cn(Cc2ccccc2)cc(c1=O)C(=O)NC(C)C)C
  • InChi: 1S/C26H29N3O4/c1-17(2)27-25(31)22-15-29(14-19-9-6-5-7-10-19)16-23(24(22)30)26(32)28-18(3)20-11-8-12-21(13-20)33-4/h5-13,15-18H,14H2,1-4H3,(H,27,31)(H,28,32)/t18-/m1/s1
  • InChiKey: DOBWCVQOPJFQKS-GOSISDBHSA-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 Ligand-binding domain of nuclear hormone receptor family protein 0.0298 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0202 0.3908 0.3908
Loa Loa (eye worm) cytochrome P450 family protein 0.015 0.0564 0.0564
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0298 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0298 1 1
Brugia malayi Animal haem peroxidase family protein 0.0202 0.3908 0.3908
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0158 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0158 0.1071 0.1071
Onchocerca volvulus Protein ultraspiracle homolog 0.0298 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0298 1 1
Brugia malayi Blistered cuticle protein 3 0.0202 0.3908 0.3908
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0298 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0298 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0298 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0298 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1071 0.1071
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0298 1 1
Brugia malayi nuclear receptor NHR-88 0.0298 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Schistosoma mansoni RAR-like nuclear receptor 0.0298 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0158 0.1071 0.1071
Onchocerca volvulus Peroxidasin homolog 0.0202 0.3908 0.3908
Brugia malayi Nuclear hormone receptor-like 1 0.0158 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Brugia malayi Steroid receptor seven-up type 2 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1071 0.1071
Schistosoma mansoni peroxidasin 0.0202 0.3908 0.3908
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0298 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0298 1 1
Brugia malayi Peroxidasin 0.0202 0.3908 0.3908
Brugia malayi nuclear hormone receptor 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Onchocerca volvulus 0.0202 0.3908 0.3908
Echinococcus granulosus peroxidasin 0.0202 0.3908 0.3908
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0298 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Brugia malayi Animal haem peroxidase family protein 0.0202 0.3908 0.3908
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0298 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0202 0.3908 0.3908
Loa Loa (eye worm) steroid hormone receptor 0.0298 1 1
Brugia malayi Animal haem peroxidase family protein 0.0202 0.3908 0.3908
Schistosoma mansoni peroxidasin 0.0202 0.3908 0.3908
Loa Loa (eye worm) animal heme peroxidase 0.0202 0.3908 0.3908
Loa Loa (eye worm) hypothetical protein 0.0298 1 1
Brugia malayi Animal haem peroxidase family protein 0.0202 0.3908 0.3908
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0298 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0158 0.1071 0.1071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 1 1
Brugia malayi Animal haem peroxidase family protein 0.0202 0.3908 0.3908
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0298 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0158 0.1071 0.1071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0298 1 1
Brugia malayi Cytochrome P450 family protein 0.015 0.0564 0.0564
Loa Loa (eye worm) hypothetical protein 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0298 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0298 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0298 1 1
Echinococcus multilocularis peroxidasin 0.0202 0.3908 0.3908
Loa Loa (eye worm) animal heme peroxidase 0.0202 0.3908 0.3908
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1071 0.1071
Onchocerca volvulus Peroxidasin homolog 0.0202 0.3908 0.3908
Brugia malayi steroid hormone receptor 0.0298 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Brugia malayi Nuclear hormone receptor-like 1 0.0298 1 1
Onchocerca volvulus Dual oxidase homolog 0.0202 0.3908 0.3908
Onchocerca volvulus Peroxidase homolog 0.0202 0.3908 0.3908
Onchocerca volvulus Bile acid receptor homolog 0.0298 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Loa Loa (eye worm) hypothetical protein 0.0158 0.1071 0.1071
Brugia malayi hypothetical protein 0.0202 0.3908 0.3908
Brugia malayi nuclear receptor RXR 0.0158 0.1071 0.1071
Schistosoma mansoni coup transcription factor 0.0298 1 1
Onchocerca volvulus Peroxidase homolog 0.0202 0.3908 0.3908
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0298 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Loa Loa (eye worm) hypothetical protein 0.0298 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0298 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0298 1 1
Brugia malayi hypothetical protein 0.0158 0.1071 0.1071
Schistosoma mansoni thyroid hormone receptor 0.0298 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0298 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0298 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3908 0.3908
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0298 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0298 1 1
Echinococcus granulosus FTZ F1 alpha 0.0298 1 1
Brugia malayi hypothetical protein 0.0158 0.1071 0.1071
Schistosoma mansoni nuclear hormone receptor 0.0298 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0298 1 1
Onchocerca volvulus 0.0202 0.3908 0.3908
Loa Loa (eye worm) animal heme peroxidase 0.0202 0.3908 0.3908
Schistosoma mansoni thyroid hormone receptor 0.0298 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0298 1 1
Onchocerca volvulus 0.0298 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0158 0.1071 0.1071
Loa Loa (eye worm) animal heme peroxidase 0.0202 0.3908 0.3908
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0298 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0298 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0158 0.1071 0.1071
Onchocerca volvulus 0.0202 0.3908 0.3908
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0298 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0298 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0298 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0298 1 1

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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