Detailed information for compound 1475873

Basic information

Technical information
  • TDR Targets ID: 1475873
  • Name: 2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-met hoxyphenyl]methylamino]-2-methylpropan-1-ol
  • MW: 428.748 | Formula: C19H23BrClNO3
  • H donors: 2 H acceptors: 1 LogP: 3.98 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNC(CO)(C)C)cc(c1OCc1ccc(cc1)Cl)Br
  • InChi: 1S/C19H23BrClNO3/c1-19(2,12-23)22-10-14-8-16(20)18(17(9-14)24-3)25-11-13-4-6-15(21)7-5-13/h4-9,22-23H,10-12H2,1-3H3
  • InChiKey: VGDJMCOVGPXEGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-2-methyl-propan-1-ol
  • 2-[[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]amino]-2-methyl-propan-1-ol

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
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.012 0.3274 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0707 0.1081
Loa Loa (eye worm) hypothetical protein 0.006 0.0707 0.1081
Schistosoma mansoni alpha-glucosidase 0.0169 0.5369 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.012 0.3274 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0707 0.1081
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.012 0.3274 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.012 0.3274 0.5006
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.012 0.3274 0.5006
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.012 0.3274 0.5006
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.6539 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0707 0.1081
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6539 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.012 0.3274 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.012 0.3274 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.012 0.3274 0.5006
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.012 0.3274 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.012 0.3274 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.012 0.3274 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.012 0.3274 0.5006
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.012 0.3274 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6539 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.5369 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.012 0.3274 0.5006
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.6539 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.012 0.3274 0.6097
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.6539 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.012 0.3274 0.5
Onchocerca volvulus 0.0114 0.2996 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 26.2 uM PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 64 uM PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 via a heat-shock counterscreen assay. (Class of assay: confirmatory) ChEMBL. No reference

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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