Detailed information for compound 1326754

Basic information

Technical information
  • TDR Targets ID: 1326754
  • Name: ethyl 2-[1-(3-methoxybenzoyl)-3-oxopiperazin- 2-yl]acetate
  • MW: 320.34 | Formula: C16H20N2O5
  • H donors: 1 H acceptors: 3 LogP: 0.7 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CC1C(=O)NCCN1C(=O)c1cccc(c1)OC
  • InChi: 1S/C16H20N2O5/c1-3-23-14(19)10-13-15(20)17-7-8-18(13)16(21)11-5-4-6-12(9-11)22-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,17,20)
  • InChiKey: YTPNSCRSXWHUMV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[1-(3-methoxybenzoyl)-3-oxo-piperazin-2-yl]acetate
  • 2-[1-[(3-methoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester
  • 2-[3-keto-1-(3-methoxybenzoyl)piperazin-2-yl]acetic acid ethyl ester
  • ethyl 2-[1-(3-methoxyphenyl)carbonyl-3-oxo-piperazin-2-yl]ethanoate
  • 6H-402S
  • Oprea1_019556

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 hypothetical protein 0.0053 0.0847 0.0847
Brugia malayi Latrophilin receptor protein 2 0.0062 0.124 0.124
Loa Loa (eye worm) latrophilin receptor protein 2 0.0062 0.124 0.0429
Brugia malayi latrophilin 2 splice variant baaae 0.0133 0.447 0.447
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0195 0.7253 0.6998
Schistosoma mansoni tar DNA-binding protein 0.0199 0.7429 1
Loa Loa (eye worm) RNA binding protein 0.0199 0.7429 0.7191
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0847 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0847 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0195 0.7253 0.7253
Echinococcus granulosus tar DNA binding protein 0.0199 0.7429 1
Echinococcus multilocularis tar DNA binding protein 0.0199 0.7429 1
Loa Loa (eye worm) transcription factor SMAD2 0.0256 1 1
Brugia malayi TAR-binding protein 0.0199 0.7429 0.7429
Brugia malayi Calcitonin receptor-like protein seb-1 0.0195 0.7253 0.7253
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0847 0.5
Loa Loa (eye worm) hypothetical protein 0.0133 0.447 0.3958
Loa Loa (eye worm) TAR-binding protein 0.0199 0.7429 0.7191
Schistosoma mansoni tar DNA-binding protein 0.0199 0.7429 1
Schistosoma mansoni tar DNA-binding protein 0.0199 0.7429 1
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0847 0.5
Brugia malayi RNA binding protein 0.0199 0.7429 0.7429
Loa Loa (eye worm) MH2 domain-containing protein 0.0256 1 1
Schistosoma mansoni hypothetical protein 0.0133 0.447 0.5218
Schistosoma mansoni tar DNA-binding protein 0.0199 0.7429 1
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0847 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0199 0.7429 0.7191
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0847 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.124 0.0429
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0062 0.124 0.124
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0847 0.5
Loa Loa (eye worm) hypothetical protein 0.0195 0.7253 0.6998
Brugia malayi RNA recognition motif domain containing protein 0.0199 0.7429 0.7429
Schistosoma mansoni tar DNA-binding protein 0.0199 0.7429 1
Leishmania major hypothetical protein, conserved 0.0053 0.0847 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 39.8107 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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