Detailed information for compound 1235538

Basic information

Technical information
  • TDR Targets ID: 1235538
  • Name: [2-[(2-ethylphenyl)amino]-2-oxoethyl] 1-ethyl -7-methyl-4-oxo-1,8-naphthyridine-3-carboxyla te
  • MW: 393.436 | Formula: C22H23N3O4
  • H donors: 1 H acceptors: 4 LogP: 3.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)COC(=O)c1cn(CC)c2c(c1=O)ccc(n2)C
  • InChi: 1S/C22H23N3O4/c1-4-15-8-6-7-9-18(15)24-19(26)13-29-22(28)17-12-25(5-2)21-16(20(17)27)11-10-14(3)23-21/h6-12H,4-5,13H2,1-3H3,(H,24,26)
  • InChiKey: SXFUIPORGRGZJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[(2-ethylphenyl)amino]-2-oxo-ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
  • 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid [2-[(2-ethylphenyl)amino]-2-oxoethyl] ester
  • 1-ethyl-4-keto-7-methyl-1,8-naphthyridine-3-carboxylic acid [2-[(2-ethylphenyl)amino]-2-keto-ethyl] ester
  • C200-4284
  • NCGC00105139-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor 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
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
Schistosoma japonicum Thyroid hormone receptor alpha, 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 japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative 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 ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 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
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 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
Giardia lamblia Rrm3p helicase 0.0054 0.1022 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0054 0.1022 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1548 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1548 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0054 0.1022 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.1022 0.1022
Entamoeba histolytica DNA repair and recombination protein, putative 0.0054 0.1022 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0054 0.1022 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0054 0.1022 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1548 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.9008 0.8895
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0054 0.1022 0.5
Schistosoma mansoni hypothetical protein 0.0152 0.9008 0.9008
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0054 0.1022 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1548 1
Entamoeba histolytica hypothetical protein, conserved 0.0054 0.1022 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.1022 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.9008 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0054 0.1022 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0028 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) 2.5119 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.

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