Detailed information for compound 819095

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.469 | Formula: C24H26F4N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(=O)NCC1CCC2(O1)CCN(CC2)Cc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C24H26F4N2O2/c25-20-3-1-2-18(14-20)22(31)29-15-21-8-9-23(32-21)10-12-30(13-11-23)16-17-4-6-19(7-5-17)24(26,27)28/h1-7,14,21H,8-13,15-16H2,(H,29,31)
  • InChiKey: ONOTUVVBLUXAGX-UHFFFAOYSA-N  

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
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0483 0.3553 0.814
Echinococcus multilocularis thyroid hormone receptor alpha 0.0483 0.3553 0.3553
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0255 0.038 0.1071
Echinococcus granulosus FTZ F1 alpha 0.0483 0.3553 0.814
Schistosoma mansoni thyroid hormone receptor 0.0483 0.3553 1
Echinococcus multilocularis neuropeptide receptor A26 0.0542 0.4365 0.4365
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0483 0.3553 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0483 0.3553 1
Schistosoma mansoni thyroid hormone receptor 0.0483 0.3553 1
Onchocerca volvulus Bile acid receptor homolog 0.0483 0.3553 1
Brugia malayi steroid hormone receptor 0.0483 0.3553 1
Brugia malayi hypothetical protein 0.0255 0.038 0.1071
Loa Loa (eye worm) hypothetical protein 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0483 0.3553 1
Echinococcus multilocularis FTZ F1 alpha 0.0483 0.3553 0.3553
Brugia malayi Nuclear hormone receptor-like 1 0.0483 0.3553 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0483 0.3553 0.3553
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0483 0.3553 0.3553
Loa Loa (eye worm) hypothetical protein 0.0483 0.3553 1
Echinococcus granulosus neuropeptide s receptor 0.0542 0.4365 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0483 0.3553 0.814
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0483 0.3553 0.3553
Loa Loa (eye worm) hypothetical protein 0.0255 0.038 0.1071
Schistosoma mansoni RAR-like nuclear receptor 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0483 0.3553 1
Loa Loa (eye worm) hypothetical protein 0.0483 0.3553 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0255 0.038 0.0872
Loa Loa (eye worm) hypothetical protein 0.0483 0.3553 1
Brugia malayi Steroid receptor seven-up type 2 0.0483 0.3553 1
Brugia malayi nuclear receptor RXR 0.0255 0.038 0.1071
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0483 0.3553 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0483 0.3553 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0483 0.3553 1
Loa Loa (eye worm) steroid hormone receptor 0.0483 0.3553 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0483 0.3553 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0483 0.3553 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0483 0.3553 1
Brugia malayi nuclear receptor NHR-88 0.0483 0.3553 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0483 0.3553 0.814
Brugia malayi hypothetical protein 0.0255 0.038 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0255 0.038 0.1071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0483 0.3553 0.3553
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0483 0.3553 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0483 0.3553 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0483 0.3553 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0483 0.3553 0.3553
Loa Loa (eye worm) hypothetical protein 0.0483 0.3553 1
Echinococcus granulosus ecdysone induced protein 78C 0.0483 0.3553 0.814
Loa Loa (eye worm) hypothetical protein 0.0483 0.3553 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0483 0.3553 0.814
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0483 0.3553 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0483 0.3553 1
Loa Loa (eye worm) hypothetical protein 0.0255 0.038 0.1071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0483 0.3553 0.814
Brugia malayi Nuclear hormone receptor-like 1 0.0255 0.038 0.1071
Loa Loa (eye worm) hypothetical protein 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0483 0.3553 1
Onchocerca volvulus 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0483 0.3553 1
Brugia malayi ecdysteroid receptor 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0483 0.3553 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0483 0.3553 0.814
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0483 0.3553 0.3553
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0255 0.038 0.1071
Echinococcus multilocularis neuropeptide s receptor 0.0542 0.4365 0.4365
Loa Loa (eye worm) hypothetical protein 0.0255 0.038 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0483 0.3553 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0255 0.038 0.1071
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0483 0.3553 1
Schistosoma mansoni retinoic acid receptor RXR 0.0483 0.3553 1
Schistosoma mansoni nuclear hormone receptor 0.0483 0.3553 1
Schistosoma mansoni coup transcription factor 0.0483 0.3553 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0483 0.3553 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0483 0.3553 0.3553
Loa Loa (eye worm) hypothetical protein 0.0255 0.038 0.1071
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0483 0.3553 1
Brugia malayi follicle stimulating hormone receptor 0.0273 0.0628 0.1768
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0255 0.038 0.038
Echinococcus granulosus neuropeptide receptor A26 0.0542 0.4365 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0483 0.3553 1
Brugia malayi nuclear hormone receptor 0.0483 0.3553 1
Loa Loa (eye worm) hypothetical protein 0.0483 0.3553 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0273 0.0628 0.1768
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0483 0.3553 1
Loa Loa (eye worm) hypothetical protein 0.0255 0.038 0.1071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0483 0.3553 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0483 0.3553 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0483 0.3553 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0483 0.3553 0.814

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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