Detailed information for compound 219377

Basic information

Technical information
  • TDR Targets ID: 219377
  • Name: 2-[3-phenoxy-N-[[3-(trifluoromethoxy)phenyl]m ethyl]anilino]-1-[4-(trifluoromethyl)phenyl]e thanol
  • MW: 547.488 | Formula: C29H23F6NO3
  • H donors: 1 H acceptors: 1 LogP: 7.98 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(c1ccc(cc1)C(F)(F)F)CN(c1cccc(c1)Oc1ccccc1)Cc1cccc(c1)OC(F)(F)F
  • InChi: 1S/C29H23F6NO3/c30-28(31,32)22-14-12-21(13-15-22)27(37)19-36(18-20-6-4-11-26(16-20)39-29(33,34)35)23-7-5-10-25(17-23)38-24-8-2-1-3-9-24/h1-17,27,37H,18-19H2
  • InChiKey: PAHXYTGPSQGUMX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(3-phenoxyphenyl)-[[3-(trifluoromethoxy)phenyl]methyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
  • 2-(3-phenoxy-N-[3-(trifluoromethoxy)benzyl]anilino)-1-[4-(trifluoromethyl)phenyl]ethanol
  • 2-[[3-(phenoxy)phenyl]-[[3-(trifluoromethoxy)phenyl]methyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
  • 2-[[3-(phenoxy)phenyl]-[3-(trifluoromethoxy)benzyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholesteryl ester transfer protein, plasma 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
Echinococcus granulosus tubulin polymerization promoting protein family 0.0026 0 0.5
Schistosoma mansoni hypothetical protein 0.0026 0 0.5
Trypanosoma cruzi p25-alpha, putative 0.0026 0 0.5
Toxoplasma gondii p25-alpha family protein 0.0026 0 0.5
Echinococcus multilocularis tubulin polymerization promoting protein family 0.0026 0 0.5
Plasmodium falciparum p25-alpha family protein, putative 0.0026 0 0.5
Plasmodium vivax p25-alpha family protein, putative 0.0026 0 0.5
Schistosoma mansoni p25-alpha domain containing protein 0.0026 0 0.5
Echinococcus multilocularis tubulin polymerization promoting protein family 0.0026 0 0.5
Echinococcus granulosus tubulin polymerization promoting protein family 0.0026 0 0.5
Onchocerca volvulus TPPP family protein homolog 0.0812 1 1
Trypanosoma brucei p25-alpha, putative 0.0026 0 0.5
Echinococcus granulosus tubulin polymerization promoting protein family 0.0026 0 0.5
Leishmania major hypothetical protein, conserved 0.0026 0 0.5
Trypanosoma cruzi p25-alpha, putative 0.0026 0 0.5
Loa Loa (eye worm) p25-alpha family protein 0.0812 1 1
Giardia lamblia Hypothetical protein 0.0026 0 0.5
Toxoplasma gondii p25-alpha family protein 0.0026 0 0.5
Schistosoma mansoni P25 alpha-related 0.0026 0 0.5
Toxoplasma gondii hypothetical protein 0.0026 0 0.5
Leishmania major hypothetical protein, conserved 0.0026 0 0.5
Echinococcus multilocularis tubulin polymerization promoting protein family 0.0026 0 0.5
Echinococcus multilocularis tubulin polymerization promoting protein family 0.0026 0 0.5
Echinococcus granulosus tubulin polymerization promoting protein family 0.0026 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 18 uM Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer. ChEMBL. 12190312
IC50 (binding) = 18 uM Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer. ChEMBL. 12190312

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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