Detailed information for compound 1540889

Basic information

Technical information
  • TDR Targets ID: 1540889
  • Name: [2-(2-methoxyphenyl)-2-oxoethyl] 2-(2,4-dioxo -1,3-diazaspiro[4.4]nonan-3-yl)acetate
  • MW: 360.361 | Formula: C18H20N2O6
  • H donors: 1 H acceptors: 4 LogP: 1.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)COC(=O)CN1C(=O)NC2(C1=O)CCCC2
  • InChi: 1S/C18H20N2O6/c1-25-14-7-3-2-6-12(14)13(21)11-26-15(22)10-20-16(23)18(19-17(20)24)8-4-5-9-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,24)
  • InChiKey: KJXPDTVMXFPCBC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(2-methoxyphenyl)-2-oxo-ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
  • 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester
  • 2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester
  • [2-(2-methoxyphenyl)-2-oxo-ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethanoate
  • ZINC05874027

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.3604 0.3604
Toxoplasma gondii hypothetical protein 0.0084 0.3604 0.482
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0178 1 1
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.0058 0.1864 0.2493
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0178 1 1
Echinococcus granulosus carbonic anhydrase II 0.0178 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0084 0.3604 0.3604
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.0141 0.7476 0.6055
Treponema pallidum 5'-nucleotidase (ushA) 0.0141 0.7476 0.5
Plasmodium falciparum carbonic anhydrase 0.0084 0.3604 1
Giardia lamblia Hypothetical protein 0.0058 0.1837 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.3604 0.3604
Trypanosoma brucei carbonic anhydrase-like protein 0.0178 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.3604 0.3604
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.0141 0.7476 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0084 0.3604 0.3604
Echinococcus multilocularis carbonic anhydrase II 0.0178 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.3604 0.3604
Loa Loa (eye worm) hypothetical protein 0.0084 0.3604 0.3604
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0178 1 1
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.014 0.7449 0.6012
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0178 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.3604 0.3604
Loa Loa (eye worm) carbonic anhydrase 3 0.0178 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0084 0.3604 0.3604
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0178 1 1
Leishmania major carbonic anhydrase-like protein 0.0178 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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