Detailed information for compound 1571781

Basic information

Technical information
  • TDR Targets ID: 1571781
  • Name: ethyl 2-[1-(2,6-dichlorobenzoyl)-3-oxopiperaz in-2-yl]acetate
  • MW: 359.205 | Formula: C15H16Cl2N2O4
  • H donors: 1 H acceptors: 3 LogP: 1.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CC1C(=O)NCCN1C(=O)c1c(Cl)cccc1Cl
  • InChi: 1S/C15H16Cl2N2O4/c1-2-23-12(20)8-11-14(21)18-6-7-19(11)15(22)13-9(16)4-3-5-10(13)17/h3-5,11H,2,6-8H2,1H3,(H,18,21)
  • InChiKey: DUIUVVOAKZPOLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[1-(2,6-dichlorobenzoyl)-3-oxo-piperazin-2-yl]acetate
  • 2-[1-[(2,6-dichlorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester
  • 2-[1-(2,6-dichlorobenzoyl)-3-keto-piperazin-2-yl]acetic acid ethyl ester
  • ethyl 2-[1-(2,6-dichlorophenyl)carbonyl-3-oxo-piperazin-2-yl]ethanoate
  • Oprea1_003860
  • 5H-404S
  • Bionet1_001353

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 Calcitonin receptor-like protein seb-1 0.005 0.0633 0.0633
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0278 0.9791 0.5
Echinococcus multilocularis geminin 0.017 0.5434 0.5
Loa Loa (eye worm) hypothetical protein 0.0224 0.759 0.7752
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0278 0.9791 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0633 0.0647
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0278 0.9791 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0278 0.9791 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1035 0.1057
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0278 0.9791 0.5
Schistosoma mansoni hypothetical protein 0.017 0.5434 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0278 0.9791 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0278 0.9791 0.5
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0278 0.9791 0.5
Schistosoma mansoni hypothetical protein 0.017 0.5434 1
Echinococcus granulosus geminin 0.017 0.5434 0.5
Onchocerca volvulus 0.0278 0.9791 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0278 0.9791 0.5
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0103 0.2777 0.5111
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0278 0.9791 0.5
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0278 0.9791 0.9791
Loa Loa (eye worm) hypothetical protein 0.012 0.3445 0.3519
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0633 0.0647
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0633 0.0633
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0278 0.9791 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0278 0.9791 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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