Detailed information for compound 1447913

Basic information

Technical information
  • TDR Targets ID: 1447913
  • Name: 2-methoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d] triazin-3-yl)acetate
  • MW: 345.373 | Formula: C16H15N3O4S
  • H donors: 0 H acceptors: 2 LogP: 3.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOC(=O)Cn1nnc2c(c1=O)cc(s2)c1ccccc1
  • InChi: 1S/C16H15N3O4S/c1-22-7-8-23-14(20)10-19-16(21)12-9-13(24-15(12)17-18-19)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3
  • InChiKey: LGJMQELLYNZEIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methoxyethyl 2-(4-oxo-6-phenyl-thieno[2,3-d]triazin-3-yl)acetate
  • 2-(4-oxo-6-phenyl-3-thieno[2,3-d]triazinyl)acetic acid 2-methoxyethyl ester
  • 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetic acid 2-methoxyethyl ester
  • 2-methoxyethyl 2-(4-oxo-6-phenyl-thieno[2,3-d][1,2,3]triazin-3-yl)ethanoate
  • D243-0194
  • NCGC00117250-01
  • ZINC01785064
  • ST5326023

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0076 0.039 0.044
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0076 0.039 0.044
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0076 0.039 0.0406
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0076 0.039 0.039
Echinococcus granulosus transcription factor Dp 1 0.0548 0.4984 0.4984
Brugia malayi nuclear receptor RXR 0.004 0.0042 0.0047
Onchocerca volvulus Protein ultraspiracle homolog 0.0076 0.039 1
Onchocerca volvulus Bile acid receptor homolog 0.0076 0.039 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.039 0.044
Schistosoma mansoni coup transcription factor 0.0076 0.039 0.039
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0947 0.8864 0.9224
Loa Loa (eye worm) hypothetical protein 0.004 0.0042 0.0047
Brugia malayi Steroid receptor seven-up type 2 0.0076 0.039 0.044
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.039 0.044
Loa Loa (eye worm) hypothetical protein 0.0076 0.039 0.044
Brugia malayi hypothetical protein 0.004 0.0042 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.039 0.044
Echinococcus multilocularis transcription factor Dp 1 0.0548 0.4984 0.5186
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0076 0.039 0.039
Brugia malayi Nuclear hormone receptor-like 1 0.0076 0.039 0.044
Loa Loa (eye worm) hypothetical protein 0.0076 0.039 0.044
Brugia malayi photoreceptor-specific nuclear receptor 0.0076 0.039 0.044
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0076 0.039 0.0406
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0947 0.8864 0.5
Schistosoma mansoni thyroid hormone receptor 0.0076 0.039 0.039
Echinococcus multilocularis thyroid hormone receptor alpha 0.0076 0.039 0.0406
Loa Loa (eye worm) hypothetical protein 0.004 0.0042 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0076 0.039 0.044
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.039 0.044
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0076 0.039 0.044
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0076 0.039 0.044
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0947 0.8864 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.039 0.039
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0076 0.039 0.044
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0076 0.039 0.039
Echinococcus multilocularis ecdysone induced protein 78C 0.0076 0.039 0.0406
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0076 0.039 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0076 0.039 0.044
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0947 0.8864 0.8864
Schistosoma mansoni thyroid hormone receptor 0.0076 0.039 0.039
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.039 0.044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0076 0.039 0.039
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0076 0.039 0.039
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0947 0.8864 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.039 0.0406
Schistosoma mansoni steroid hormone receptor ad4bp 0.0076 0.039 0.039
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0076 0.039 0.039
Onchocerca volvulus 0.0076 0.039 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0076 0.039 0.039
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0076 0.039 0.039
Loa Loa (eye worm) hypothetical protein 0.0076 0.039 0.044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0076 0.039 0.044
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.039 0.039
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0042 0.0042
Brugia malayi nuclear receptor NHR-88 0.0076 0.039 0.044
Schistosoma mansoni RAR-like nuclear receptor 0.0076 0.039 0.039
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1024 0.961 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.004 0.0042 0.0047
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0947 0.8864 0.8864
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0076 0.039 0.0406
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0076 0.039 0.044
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0076 0.039 0.044
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.004 0.0042 0.0043
Echinococcus granulosus FTZ F1 alpha 0.0076 0.039 0.039
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0076 0.039 0.039
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0042 0.0047
Brugia malayi ecdysteroid receptor 0.0076 0.039 0.044
Loa Loa (eye worm) hypothetical protein 0.0076 0.039 0.044
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.039 0.044
Schistosoma mansoni nuclear hormone receptor 0.0076 0.039 0.039
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0076 0.039 0.039
Brugia malayi steroid hormone receptor 0.0076 0.039 0.044
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0947 0.8864 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.039 0.044
Loa Loa (eye worm) steroid hormone receptor 0.0076 0.039 0.044
Echinococcus granulosus ecdysone induced protein 78C 0.0076 0.039 0.039
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0076 0.039 0.044
Echinococcus multilocularis FTZ F1 alpha 0.0076 0.039 0.0406
Loa Loa (eye worm) hypothetical protein 0.004 0.0042 0.0047
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0947 0.8864 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0076 0.039 0.044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0076 0.039 0.044
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0076 0.039 0.0406
Brugia malayi hypothetical protein 0.004 0.0042 0.0047
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.004 0.0042 0.0042
Brugia malayi nuclear hormone receptor 0.0076 0.039 0.044
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.039 0.044
Loa Loa (eye worm) hypothetical protein 0.0076 0.039 0.044
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.039 0.0406
Loa Loa (eye worm) hypothetical protein 0.0076 0.039 0.044
Loa Loa (eye worm) hypothetical protein 0.004 0.0042 0.0047
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.004 0.0042 0.0042
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0947 0.8864 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.1064 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0042 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0076 0.039 0.044
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0947 0.8864 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0042 0.0047

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0891 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) = 11.2202 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) 56.2341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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