Detailed information for compound 1268635

Basic information

Technical information
  • TDR Targets ID: 1268635
  • Name: methyl N-[[5-amino-2-(2-methoxy-5-propan-2-yl phenyl)phenyl]methyl]-N-[[3,5-bis(trifluorome thyl)phenyl]methyl]carbamate
  • MW: 554.524 | Formula: C28H28F6N2O3
  • H donors: 1 H acceptors: 1 LogP: 6.93 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)N(Cc1cc(N)ccc1c1cc(ccc1OC)C(C)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
  • InChi: 1S/C28H28F6N2O3/c1-16(2)18-5-8-25(38-3)24(12-18)23-7-6-22(35)11-19(23)15-36(26(37)39-4)14-17-9-20(27(29,30)31)13-21(10-17)28(32,33)34/h5-13,16H,14-15,35H2,1-4H3
  • InChiKey: QMDMWGKKJUHPCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl N-[[5-amino-2-(5-isopropyl-2-methoxy-phenyl)phenyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
  • N-[[5-amino-2-(5-isopropyl-2-methoxyphenyl)phenyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamic acid methyl ester
  • N-[5-amino-2-(5-isopropyl-2-methoxy-phenyl)benzyl]-N-[3,5-bis(trifluoromethyl)benzyl]carbamic acid methyl ester
  • methyl N-[[5-amino-2-(2-methoxy-5-propan-2-yl-phenyl)phenyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate

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
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Schistosoma mansoni thyroid hormone receptor 0.0057 1 1
Schistosoma mansoni nuclear hormone receptor 0.0057 1 1
Onchocerca volvulus 0.0041 0.4613 0.4613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0057 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0057 1 1
Onchocerca volvulus 0.0041 0.4613 0.4613
Echinococcus granulosus FTZ F1 alpha 0.0057 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0057 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0057 1 1
Onchocerca volvulus 0.0041 0.4613 0.4613
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0041 0.4613 0.4613
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0057 1 1
Brugia malayi nuclear hormone receptor 0.0057 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0057 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0057 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 1 1
Schistosoma mansoni coup transcription factor 0.0057 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0057 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0057 1 1
Onchocerca volvulus 0.0041 0.4613 0.4613
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0057 1 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0041 0.4613 0.4613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0057 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.003 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.003 0.1071 0.1071
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0057 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0057 1 1
Schistosoma mansoni thyroid hormone receptor 0.0057 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0057 1 1
Brugia malayi nuclear receptor NHR-88 0.0057 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 1 1
Onchocerca volvulus 0.0041 0.4613 0.4613
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0057 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0057 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0057 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0057 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Onchocerca volvulus 0.0041 0.4613 0.4613
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.1071 0.1071
Onchocerca volvulus Bile acid receptor homolog 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0057 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0057 1 1
Onchocerca volvulus 0.0041 0.4613 0.4613
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0057 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0057 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.003 0.1071 0.1071
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.1071 0.1071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0057 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0057 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0057 1 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0041 0.4613 0.4613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0057 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0057 1 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0041 0.4613 0.4613
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0057 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.003 0.1071 0.1071
Loa Loa (eye worm) steroid hormone receptor 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Brugia malayi nuclear receptor RXR 0.003 0.1071 0.1071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0057 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.4613 0.4613
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0057 1 1
Brugia malayi steroid hormone receptor 0.0057 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.003 0.1071 0.1071
Onchocerca volvulus 0.0041 0.4613 0.4613
Brugia malayi hypothetical protein 0.003 0.1071 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0057 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0057 1 1
Onchocerca volvulus 0.0057 1 1
Brugia malayi hypothetical protein 0.003 0.1071 0.1071

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4664 nM Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis ChEMBL. 21041082

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.