Detailed information for compound 1413039

Basic information

Technical information
  • TDR Targets ID: 1413039
  • Name: N'-(3,5-dimethylphenyl)-N-(2-morpholin-4-yl-2 -pyridin-3-ylethyl)oxamide
  • MW: 382.456 | Formula: C21H26N4O3
  • H donors: 2 H acceptors: 3 LogP: 1.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(cc(c1)C)NC(=O)C(=O)NCC(c1cccnc1)N1CCOCC1
  • InChi: 1S/C21H26N4O3/c1-15-10-16(2)12-18(11-15)24-21(27)20(26)23-14-19(17-4-3-5-22-13-17)25-6-8-28-9-7-25/h3-5,10-13,19H,6-9,14H2,1-2H3,(H,23,26)(H,24,27)
  • InChiKey: BORKOHUMSBKTEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(3,5-dimethylphenyl)-N-[2-morpholino-2-(3-pyridyl)ethyl]oxamide
  • N'-(3,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)ethanediamide
  • E155-0717
  • NCGC00120861-01

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
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 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
Schistosoma mansoni hypothetical 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
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 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 japonicum expressed protein 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
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
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0294 1 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0294 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0294 1 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0294 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0294 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0294 1 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0294 1 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0294 1 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0294 1 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0294 1 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0294 1 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.0857 0.0857
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0294 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0294 1 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0294 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0294 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0294 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 0.0857 0.0857
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0294 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 0.0857 0.0857
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0294 1 0.5
Plasmodium vivax RNA helicase-1, putative 0.0294 1 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0294 1 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0294 1 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0294 1 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0294 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 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) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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