Detailed information for compound 257886

Basic information

Technical information
  • TDR Targets ID: 257886
  • Name: 5-[2-[2-[2-[3-[4-cyano-3-(trifluoromethyl)phe nyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl] ethoxy]ethoxy]ethoxymethyl]-2-hydroxybenzamid e
  • MW: 578.537 | Formula: C27H29F3N4O7
  • H donors: 2 H acceptors: 5 LogP: 2.2 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1C(F)(F)F)N1C(=O)N(C(C1=O)(C)C)CCOCCOCCOCc1ccc(c(c1)C(=O)N)O
  • InChi: 1S/C27H29F3N4O7/c1-26(2)24(37)34(19-5-4-18(15-31)21(14-19)27(28,29)30)25(38)33(26)7-8-39-9-10-40-11-12-41-16-17-3-6-22(35)20(13-17)23(32)36/h3-6,13-14,35H,7-12,16H2,1-2H3,(H2,32,36)
  • InChiKey: YTAVVPKFNJLONT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[2-[2-[2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxo-imidazolidin-1-yl]ethoxy]ethoxy]ethoxymethyl]-2-hydroxy-benzamide
  • 5-[2-[2-[2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxo-1-imidazolidinyl]ethoxy]ethoxy]ethoxymethyl]-2-hydroxybenzamide
  • 5-[2-[2-[2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2,4-diketo-5,5-dimethyl-imidazolidin-1-yl]ethoxy]ethoxy]ethoxymethyl]-2-hydroxy-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL References

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
Onchocerca volvulus Bile acid receptor homolog 0.0009 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0056 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.5145 0.5145
Echinococcus multilocularis tar DNA binding protein 0.0056 1 1
Brugia malayi TAR-binding protein 0.0056 1 1
Entamoeba histolytica hypothetical protein 0.0033 0.5145 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0009 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Entamoeba histolytica hypothetical protein 0.0033 0.5145 0.5
Echinococcus granulosus tar DNA binding protein 0.0056 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.5145 0.5145
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Loa Loa (eye worm) TAR-binding protein 0.0056 1 1
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Onchocerca volvulus 0.0009 0 0.5
Entamoeba histolytica hypothetical protein 0.0033 0.5145 0.5
Brugia malayi hypothetical protein 0.0033 0.5145 0.5145
Entamoeba histolytica hypothetical protein 0.0033 0.5145 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.5145 0.5145
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0056 1 1
Schistosoma mansoni tar DNA-binding protein 0.0056 1 1
Loa Loa (eye worm) RNA binding protein 0.0056 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.5145 0.5145

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 332 nM Inhibition of 1.0 nM [3H]-Mibolerone binding to human androgen receptor of PC3/AR cell lysate ChEMBL. 14613328
IC50 (binding) = 332 nM Inhibition of 1.0 nM [3H]-Mibolerone binding to human androgen receptor of PC3/AR cell lysate ChEMBL. 14613328
RBA (binding) = 3 Relative binding affinity for human androgen receptor against 1.0 nM [3H]-Mibolerone in PC3/AR cell lysate ChEMBL. 14613328

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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