Detailed information for compound 1380375

Basic information

Technical information
  • TDR Targets ID: 1380375
  • Name: (2-oxo-2-piperidin-1-ylethyl) 2-(2,4-dichloro phenyl)acetate
  • MW: 330.206 | Formula: C15H17Cl2NO3
  • H donors: 0 H acceptors: 2 LogP: 3.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc(cc1Cl)Cl)OCC(=O)N1CCCCC1
  • InChi: 1S/C15H17Cl2NO3/c16-12-5-4-11(13(17)9-12)8-15(20)21-10-14(19)18-6-2-1-3-7-18/h4-5,9H,1-3,6-8,10H2
  • InChiKey: GDJPOYOBTYWZNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-oxo-2-(1-piperidyl)ethyl] 2-(2,4-dichlorophenyl)acetate
  • 2-(2,4-dichlorophenyl)acetic acid [2-oxo-2-(1-piperidyl)ethyl] ester
  • 2-(2,4-dichlorophenyl)acetic acid (2-keto-2-piperidino-ethyl) ester
  • (2-oxo-2-piperidin-1-yl-ethyl) 2-(2,4-dichlorophenyl)ethanoate
  • T0509-2980
  • Oprea1_410948
  • ZINC03240905

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei Peptide deformylase 2 0.1995 0.3804 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.1995 0.3804 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.1995 0.3804 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.0257 1
Schistosoma mansoni smad1 5 8 and 0.001 0 0.5
Treponema pallidum polypeptide deformylase (def) 0.5228 1 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.5228 1 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.5228 1 0.5
Plasmodium vivax peptide deformylase, putative 0.5228 1 0.5
Plasmodium falciparum peptide deformylase 0.5228 1 0.5
Schistosoma mansoni Smad4 0.001 0 0.5
Echinococcus granulosus Smad4 0.001 0 0.5
Mycobacterium ulcerans peptide deformylase 0.5228 1 0.5
Schistosoma mansoni smad 0.001 0 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0 0.5
Echinococcus granulosus smad 0.001 0 0.5
Toxoplasma gondii hypothetical protein 0.5228 1 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.1995 0.3804 0.5
Echinococcus multilocularis Smad4 0.001 0 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.1995 0.3804 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0257 1
Echinococcus multilocularis smad 0.001 0 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.1995 0.3804 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0257 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.5228 1 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.1995 0.3804 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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