Detailed information for compound 1498457

Basic information

Technical information
  • TDR Targets ID: 1498457
  • Name: [2-[(2-methoxy-4-nitrophenyl)amino]-2-oxoethy l] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
  • MW: 417.393 | Formula: C18H15N3O7S
  • H donors: 2 H acceptors: 5 LogP: 1.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)[N+](=O)[O-]
  • InChi: 1S/C18H15N3O7S/c1-27-14-7-11(21(25)26)3-4-12(14)19-16(22)8-28-18(24)10-2-5-15-13(6-10)20-17(23)9-29-15/h2-7H,8-9H2,1H3,(H,19,22)(H,20,23)
  • InChiKey: PTJOVZQFQNDNKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
  • 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[(2-methoxy-4-nitrophenyl)amino]-2-oxoethyl] ester
  • 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-keto-2-[(2-methoxy-4-nitro-phenyl)amino]ethyl] ester
  • T5304481

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens eukaryotic translation initiation factor 4H Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA binding protein Get druggable targets OG5_132232 All targets in OG5_132232
Schistosoma mansoni eukaryotic translation initiation factor 4h Get druggable targets OG5_132232 All targets in OG5_132232
Schistosoma mansoni eukaryotic translation initiation factor 4h Get druggable targets OG5_132232 All targets in OG5_132232
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132232 All targets in OG5_132232
Schistosoma mansoni eukaryotic translation initiation factor 4h Get druggable targets OG5_132232 All targets in OG5_132232
Echinococcus multilocularis Eukaryotic translation initiation factor 4H Get druggable targets OG5_132232 All targets in OG5_132232
Echinococcus granulosus Eukaryotic translation initiation factor 4H Get druggable targets OG5_132232 All targets in OG5_132232
Schistosoma japonicum Eukaryotic translation initiation factor 4H, putative Get druggable targets OG5_132232 All targets in OG5_132232
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus eukaryotic translation initiation factor 4b:4h eukaryotic translation initiation factor 4H 248 aa 217 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0637 0.0916
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0587 0.0845
Brugia malayi RNA binding protein 0.0163 0.5573 0.6406
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0637 0.0916
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1541 0.1772
Loa Loa (eye worm) hypothetical protein 0.0163 0.5573 0.6406
Loa Loa (eye worm) hypothetical protein 0.0035 0.0637 0.0732
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0637 0.0916
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0637 0.0916
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0637 0.0916
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0637 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0637 0.0916
Loa Loa (eye worm) hypothetical protein 0.004 0.0828 0.0952
Echinococcus multilocularis Eukaryotic translation initiation factor 4H 0.0163 0.5573 0.8018
Schistosoma mansoni hypothetical protein 0.0198 0.6951 1
Plasmodium vivax SET domain protein, putative 0.0035 0.0637 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1541 0.1772
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0163 0.5573 0.8018
Brugia malayi Pre-SET motif family protein 0.0035 0.0637 0.0732
Schistosoma mansoni hypothetical protein 0.004 0.0828 0.1191
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.87 1
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0163 0.5573 0.8018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1541 0.1772
Schistosoma mansoni hypothetical protein 0.0198 0.6951 1
Brugia malayi Pre-SET motif family protein 0.0244 0.87 1
Echinococcus granulosus Eukaryotic translation initiation factor 4H 0.0163 0.5573 0.8018
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0163 0.5573 0.8018
Echinococcus granulosus geminin 0.0198 0.6951 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0637 0.0916
Trichomonas vaginalis set domain proteins, putative 0.0277 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.1541 0.1772
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0828 0.0952
Echinococcus multilocularis geminin 0.0198 0.6951 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.18 uM PUBCHEM_BIOASSAY: SAR analysis for the identification of translation initiation inhibitors (eIF4H). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2012, AID2014, AID2028] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: SAR analysis for the identification of translation initiation inhibitors (PABP). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2012, AID2014, AID2030] 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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