Detailed information for compound 1359492

Basic information

Technical information
  • TDR Targets ID: 1359492
  • Name: N-(4-ethoxyphenyl)-2-[2-[(3-methylphenoxy)met hyl]-1,3-thiazol-4-yl]acetamide
  • MW: 382.476 | Formula: C21H22N2O3S
  • H donors: 1 H acceptors: 2 LogP: 3.96 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)Cc1csc(n1)COc1cccc(c1)C
  • InChi: 1S/C21H22N2O3S/c1-3-25-18-9-7-16(8-10-18)22-20(24)12-17-14-27-21(23-17)13-26-19-6-4-5-15(2)11-19/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
  • InChiKey: RBLRZKSZVIATCP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-ethoxyphenyl)-2-[2-[(3-methylphenoxy)methyl]thiazol-4-yl]acetamide
  • N-(4-ethoxyphenyl)-2-[2-[(3-methylphenoxy)methyl]-4-thiazolyl]acetamide
  • N-(4-ethoxyphenyl)-2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamide
  • D333-0318
  • NCGC00118655-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi histone deacetylase 1 (HD1) 0.1891 0.9913 1
Loa Loa (eye worm) histone deacetylase 7A 0.1866 0.9768 0.9758
Trypanosoma brucei histone deacetylase 4 0.1866 0.9768 0.9758
Toxoplasma gondii histone deacetylase HDAC1 0.1866 0.9768 0.9758
Leishmania major histone deacetylase, putative 0.1891 0.9913 1
Schistosoma mansoni histone deacetylase 0.1891 0.9913 0.9913
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1891 0.9913 0.5
Trypanosoma brucei histone deacetylase 1 0.1891 0.9913 1
Schistosoma mansoni histone deacetylase hda2 0.0851 0.3944 0.3944
Brugia malayi Histone deacetylase family protein 0.1866 0.9768 0.9758
Brugia malayi histone deacetylase 3 (HD3) 0.1891 0.9913 1
Trypanosoma brucei histone deacetylase 3 0.1866 0.9768 0.9758
Echinococcus granulosus histone deacetylase 6 0.1866 0.9768 0.9618
Trichomonas vaginalis histone deacetylase, putative 0.1891 0.9913 0.5
Schistosoma mansoni histone deacetylase 4 5 0.1866 0.9768 0.9768
Trichomonas vaginalis histone deacetylase, putative 0.1891 0.9913 0.5
Trichomonas vaginalis histone deacetylase, putative 0.1891 0.9913 0.5
Echinococcus multilocularis histone deacetylase 6 0.1866 0.9768 0.9768
Echinococcus multilocularis histone deacetylase 3 0.1891 0.9913 0.9913
Echinococcus granulosus histone deacetylase 7 0.1866 0.9768 0.9618
Plasmodium falciparum histone deacetylase 1 0.1891 0.9913 1
Echinococcus multilocularis histone deacetylase 6 0.1907 1 1
Echinococcus granulosus histone deacetylase 6 0.1866 0.9768 0.9618
Loa Loa (eye worm) hypothetical protein 0.1891 0.9913 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0851 0.3944 0.3944
Echinococcus multilocularis histone deacetylase 0.1866 0.9768 0.9768
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1891 0.9913 0.5
Loa Loa (eye worm) hypothetical protein 0.1055 0.5114 0.196
Trichomonas vaginalis histone deacetylase, putative 0.1891 0.9913 0.5
Trypanosoma brucei histone deacetylase, putative 0.1866 0.9768 0.9758
Trypanosoma cruzi histone deacetylase 1, putative 0.1891 0.9913 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1891 0.9913 0.5
Loa Loa (eye worm) histone deacetylase 1 0.1891 0.9913 1
Echinococcus granulosus histone deacetylase 0.1866 0.9768 0.9618
Plasmodium vivax histone deacetylase 2, putative 0.1866 0.9768 0.9758
Toxoplasma gondii histone deacetylase HDAC2 0.1891 0.9913 1
Loa Loa (eye worm) hypothetical protein 0.1015 0.4882 0.1573
Echinococcus multilocularis histone deacetylase 1 0.1891 0.9913 0.9913
Entamoeba histolytica histone deacetylase, putative 0.1891 0.9913 0.5
Trypanosoma cruzi histone deacetylase, putative 0.1866 0.9768 0.9758
Plasmodium vivax histone deacetylase 1, putative 0.1891 0.9913 1
Brugia malayi Histone deacetylase family protein 0.1866 0.9768 0.9758
Loa Loa (eye worm) histone deacetylase 0.1866 0.9768 0.9758
Trypanosoma cruzi histone deacetylase, putative 0.1866 0.9768 0.9758
Giardia lamblia Histone deacetylase 0.1891 0.9913 0.5
Trypanosoma cruzi histone deacetylase, putative 0.1866 0.9768 0.9758
Echinococcus multilocularis histone deacetylase 7 0.1866 0.9768 0.9768
Trichomonas vaginalis histone deacetylase, putative 0.1891 0.9913 0.5
Schistosoma mansoni histone deacetylase 4 5 0.1866 0.9768 0.9768
Echinococcus multilocularis histone deacetylase 8 0.0851 0.3944 0.3944
Echinococcus multilocularis histone deacetylase 6 0.1866 0.9768 0.9768
Onchocerca volvulus Histone deacetylase 10 homolog 0.0851 0.3944 0.5
Plasmodium vivax histone deacetylase, putative 0.1866 0.9768 0.9758
Schistosoma mansoni histone deacetylase 0.1891 0.9913 0.9913
Toxoplasma gondii histone deacetylase HDAC3 0.1891 0.9913 1
Leishmania major histone deacetylase, putative 0.1891 0.9913 1
Brugia malayi Histone deacetylase 1 0.1891 0.9913 1
Trypanosoma cruzi histone deacetylase 1, putative 0.1891 0.9913 1
Loa Loa (eye worm) histone deacetylase 3 0.1891 0.9913 1
Schistosoma mansoni histone deacetylase hda2 0.1907 1 1
Trichomonas vaginalis histone deacetylase, putative 0.1891 0.9913 0.5
Echinococcus granulosus histone deacetylase 1 0.1891 0.9913 0.9856
Echinococcus granulosus histone deacetylase 3 0.1891 0.9913 0.9856

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

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