Detailed information for compound 1299650

Basic information

Technical information
  • TDR Targets ID: 1299650
  • Name: 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one
  • MW: 230.262 | Formula: C13H14N2O2
  • H donors: 1 H acceptors: 2 LogP: 0.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCN(C1)C(=O)/C=C/c1ccccc1
  • InChi: 1S/C13H14N2O2/c16-12-10-15(9-8-14-12)13(17)7-6-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,14,16)/b7-6+
  • InChiKey: ARMFLVOHDHRKMX-VOTSOKGWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(3-phenylprop-2-enoyl)piperazin-2-one
  • 4-[(E)-1-oxo-3-phenylprop-2-enyl]-2-piperazinone
  • 4-(1-oxo-3-phenylprop-2-enyl)-2-piperazinone
  • 4-[(E)-3-phenylacryloyl]piperazin-2-one
  • 4-(3-phenylacryloyl)piperazin-2-one
  • ARONIS001789
  • ZINC00206213
  • IFLab1_006128
  • STK091194

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0116 0.0116
Brugia malayi Isocitrate dehydrogenase 0.0082 0.0376 0.0376
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0332 0.2723 0.2723
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2723 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0156 0.1075 0.4819
Schistosoma mansoni Smad4 0.0076 0.0316 0.111
Brugia malayi hypothetical protein 0.0054 0.0116 0.0116
Loa Loa (eye worm) Smad1 0.0076 0.0316 0.0316
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0016 0.0016
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0239 0.1846 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0016 0.0016
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0076 0.0316 0.111
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0016 0.5
Brugia malayi Smad1 0.0076 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0239 0.1846 0.1846
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0239 0.1846 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0376 0.1331
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0116 0.2764
Brugia malayi MH2 domain containing protein 0.0076 0.0316 0.0316
Schistosoma mansoni peptidase Clp (S14 family) 0.0239 0.1846 0.6758
Echinococcus granulosus TGF beta signal transducer SmadC 0.0076 0.0316 0.111
Toxoplasma gondii isocitrate dehydrogenase 0.0082 0.0376 0.1969
Brugia malayi beta-lactamase 0.0043 0.0016 0.0016
Trichomonas vaginalis esterase, putative 0.0043 0.0016 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0376 1
Echinococcus granulosus tar DNA binding protein 0.0332 0.2723 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0082 0.0376 1
Brugia malayi TAR-binding protein 0.0332 0.2723 0.2723
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0116 0.0116
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0376 0.1331
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0376 1
Brugia malayi isocitrate dehydrogenase 0.0082 0.0376 0.0376
Brugia malayi hypothetical protein 0.0621 0.5432 0.5432
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0239 0.1846 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0239 0.1846 1
Brugia malayi RNA recognition motif domain containing protein 0.0332 0.2723 0.2723
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2213 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0239 0.1846 0.6758
Echinococcus granulosus peptidase Clp S14 family 0.0156 0.1075 0.3911
Loa Loa (eye worm) hypothetical protein 0.0043 0.0016 0.0016
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0082 0.0376 0.1331
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0116 0.2764
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0379 0.1523
Echinococcus multilocularis mothers against decapentaplegic 5 0.0076 0.0316 0.111
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0082 0.0376 0.1507
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0239 0.1846 1
Echinococcus multilocularis tar DNA binding protein 0.0332 0.2723 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0016 0.5
Echinococcus granulosus smad 0.0076 0.0316 0.111
Echinococcus multilocularis Smad4 0.0076 0.0316 0.111
Brugia malayi MH1 domain containing protein 0.0076 0.0316 0.0316
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0376 0.1331
Loa Loa (eye worm) hypothetical protein 0.0043 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0043 0.0016 0.0016
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0082 0.0376 0.164
Brugia malayi MH1 domain containing protein 0.0076 0.0316 0.0316
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.0316 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2723 1
Toxoplasma gondii isocitrate dehydrogenase 0.0082 0.0376 0.1969
Schistosoma mansoni smad1 5 8 and 0.0076 0.0316 0.111
Echinococcus granulosus Smad4 0.0076 0.0316 0.111
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0116 0.2764
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0156 0.1075 0.5787
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0239 0.1846 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.1108 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0082 0.0376 0.0376
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0082 0.0376 0.1331
Loa Loa (eye worm) RNA binding protein 0.0332 0.2723 0.2723
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0016 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0016 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0016 0.0016
Onchocerca volvulus 0.0621 0.5432 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0156 0.1075 0.3911
Echinococcus multilocularis smad 0.0076 0.0316 0.111
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0239 0.1846 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0379 0.1985
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0082 0.0379 0.1985
Brugia malayi beta-lactamase family protein 0.0043 0.0016 0.0016
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0376 1
Brugia malayi RNA binding protein 0.0332 0.2723 0.2723
Loa Loa (eye worm) hypothetical protein 0.0043 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0054 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0043 0.0016 0.0016
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0116 0.0544
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0082 0.0376 0.1331
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0239 0.1846 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0116 0.0116
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0116 0.0544
Brugia malayi beta-lactamase family protein 0.0043 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0621 0.5432 0.5432
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0156 0.1075 0.4819
Echinococcus multilocularis isocitrate dehydrogenase 0.0082 0.0376 0.1331
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0239 0.1846 1
Schistosoma mansoni smad 0.0076 0.0316 0.111
Brugia malayi Probable ClpP-like protease 0.0239 0.1846 0.1846
Loa Loa (eye worm) MH2 domain-containing protein 0.1108 1 1
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2723 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0076 0.0316 0.0316
Leishmania major hypothetical protein, conserved 0.0054 0.0116 0.2764
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0076 0.0316 0.111
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0116 0.0116
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0239 0.1846 1
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2723 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0076 0.0316 0.111
Toxoplasma gondii hypothetical protein 0.0082 0.0379 0.1985
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0082 0.0376 1
Schistosoma mansoni smad1 5 8 and 0.0076 0.0316 0.111
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0082 0.0376 0.1969
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0239 0.1846 0.5
Loa Loa (eye worm) beta-lactamase 0.0043 0.0016 0.0016
Schistosoma mansoni tar DNA-binding protein 0.0332 0.2723 1
Schistosoma mansoni smad1 5 8 and 0.0076 0.0316 0.111
Loa Loa (eye worm) TAR-binding protein 0.0332 0.2723 0.2723
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0239 0.1846 0.6758
Brugia malayi MH2 domain containing protein 0.0076 0.0316 0.0316
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0016 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 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

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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