Detailed information for compound 1294562

Basic information

Technical information
  • TDR Targets ID: 1294562
  • Name: N-(4-acetylphenyl)-2-(2-oxo-6-piperidin-1-yls ulfonyl-1,3-benzoxazol-3-yl)acetamide
  • MW: 457.5 | Formula: C22H23N3O6S
  • H donors: 1 H acceptors: 5 LogP: 1.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCCCC1)Nc1ccc(cc1)C(=O)C
  • InChi: 1S/C22H23N3O6S/c1-15(26)16-5-7-17(8-6-16)23-21(27)14-25-19-10-9-18(13-20(19)31-22(25)28)32(29,30)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,27)
  • InChiKey: DRPVBLMUTUKIRX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-acetylphenyl)-2-[2-oxo-6-(1-piperidylsulfonyl)-1,3-benzoxazol-3-yl]acetamide
  • N-(4-acetylphenyl)-2-(2-keto-6-piperidinosulfonyl-1,3-benzoxazol-3-yl)acetamide
  • N-(4-ethanoylphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)ethanamide
  • C732-0004
  • NCGC00112589-01

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
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0405 0.1103
Plasmodium vivax ataxin-2 like protein, putative 0.01 0.1192 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0405 0.1103
Brugia malayi latrophilin 2 splice variant baaae 0.0214 0.3669 0.3402
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0422 0.358
Brugia malayi Isocitrate dehydrogenase 0.0064 0.0422 0.0018
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0064 0.0422 0.1149
Echinococcus granulosus GPCR family 2 0.0099 0.1177 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1177 0.0805
Loa Loa (eye worm) transcription factor SMAD2 0.0484 0.9528 0.9508
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.1177 0.0805
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.1177 1
Loa Loa (eye worm) hypothetical protein 0.01 0.1192 0.082
Schistosoma mansoni hypothetical protein 0.0214 0.3669 1
Toxoplasma gondii LsmAD domain-containing protein 0.01 0.1192 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0484 0.9528 0.9508
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0405 0.1103
Loa Loa (eye worm) hypothetical protein 0.0313 0.5815 0.5639
Echinococcus multilocularis isocitrate dehydrogenase 0.0064 0.0422 0.358
Schistosoma mansoni hypothetical protein 0.0099 0.1177 0.321
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5055 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0064 0.0422 0.358
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.1177 1
Brugia malayi hypothetical protein 0.01 0.1192 0.082
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0313 0.5815 0.5639
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0422 0.358
Brugia malayi isocitrate dehydrogenase 0.0064 0.0422 0.0018
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.1177 0.0805
Leishmania major hypothetical protein, conserved 0.01 0.1192 1
Plasmodium falciparum ataxin-2 like protein, putative 0.01 0.1192 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0405 0.1103
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0405 0.3437
Trypanosoma cruzi PAB1-binding protein , putative 0.01 0.1192 1
Echinococcus multilocularis GPCR, family 2 0.0099 0.1177 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0405 0.1103
Trypanosoma brucei PAB1-binding protein , putative 0.01 0.1192 1
Trypanosoma cruzi PAB1-binding protein , putative 0.01 0.1192 1
Schistosoma mansoni hypothetical protein 0.0099 0.1177 0.321
Loa Loa (eye worm) hypothetical protein 0.0214 0.3669 0.3402
Brugia malayi MH2 domain containing protein 0.0484 0.9528 0.9508
Brugia malayi Calcitonin receptor-like protein seb-1 0.0313 0.5815 0.5639
Schistosoma mansoni hypothetical protein 0.0099 0.1177 0.321
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0422 0.358
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.1177 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0405 0.3437
Schistosoma mansoni hypothetical protein 0.0099 0.1177 0.321
Loa Loa (eye worm) isocitrate dehydrogenase 0.0064 0.0422 0.0018
Brugia malayi Latrophilin receptor protein 2 0.0099 0.1177 0.0805
Plasmodium falciparum ataxin-2 like protein, putative 0.01 0.1192 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0064 0.0422 0.358
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.1177 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0313 0.5815 0.5639
Brugia malayi hypothetical protein 0.0064 0.0426 0.0022

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 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) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) 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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