Detailed information for compound 49386

Basic information

Technical information
  • TDR Targets ID: 49386
  • Name: N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylam ino)ethyl]-1,4-benzothiazin-2-yl]acetamide
  • MW: 372.398 | Formula: C17H16N4O4S
  • H donors: 3 H acceptors: 5 LogP: 0.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CC1Sc2ccccc2N(C1=O)CC(=O)Nc1ccccn1
  • InChi: 1S/C17H16N4O4S/c22-15(20-25)9-13-17(24)21(11-5-1-2-6-12(11)26-13)10-16(23)19-14-7-3-4-8-18-14/h1-8,13,25H,9-10H2,(H,20,22)(H,18,19,23)
  • InChiKey: ZYGKBGJUEQILRZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-[2-(hydroxyamino)-2-oxo-ethyl]-3-oxo-1,4-benzothiazin-4-yl]-N-(2-pyridyl)acetamide
  • 2-[2-[2-(hydroxyamino)-2-oxoethyl]-3-oxo-1,4-benzothiazin-4-yl]-N-(2-pyridyl)acetamide
  • N-hydroxy-2-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazin-2-yl]ethanamide
  • 2-[2-[2-(hydroxyamino)-2-keto-ethyl]-3-keto-1,4-benzothiazin-4-yl]-N-(2-pyridyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Staphylococcus aureus subsp. aureus Mu50 Peptide deformylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium falciparum peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium berghei peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Neospora caninum Peptide deformylase, related Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium knowlesi peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128237 All targets in OG5_128237
Treponema pallidum polypeptide deformylase (def) Get druggable targets OG5_128237 All targets in OG5_128237
Chlamydia trachomatis peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium vivax peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Wolbachia endosymbiont of Brugia malayi peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Plasmodium yoelii polypeptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) Get druggable targets OG5_128237 All targets in OG5_128237
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis abca6, putative Peptide deformylase   183 aa 162 aa 25.3 %
Trypanosoma cruzi hypothetical protein Peptide deformylase   183 aa 155 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0131 0.0863 0.0944
Entamoeba histolytica protein kinase, putative 0.0077 0.0239 0.5
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Brugia malayi Protein kinase domain containing protein 0.0077 0.0239 0.028
Chlamydia trachomatis peptide deformylase 0.0279 0.2555 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.0577 0.5
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Schistosoma mansoni serine/threonine protein kinase 0.0131 0.0863 0.0639
Toxoplasma gondii hypothetical protein 0.0279 0.2555 1
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.0577 1
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0077 0.0239 0.0261
Schistosoma mansoni serine/threonine protein kinase 0.0131 0.0863 0.0639
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.0577 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0131 0.0863 0.0683
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.2555 0.5
Loa Loa (eye worm) AGC/NDR protein kinase 0.0077 0.0239 0.0261
Loa Loa (eye worm) AGC/AKT protein kinase 0.0077 0.0239 0.0261
Entamoeba histolytica protein kinase, putative 0.0077 0.0239 0.5
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Brugia malayi protein kinase C3,putative 0.0798 0.8511 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.2555 0.5
Echinococcus granulosus protein kinase c iota type 0.0873 0.9375 1
Plasmodium vivax peptide deformylase, putative 0.0279 0.2555 0.5
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Treponema pallidum polypeptide deformylase (def) 0.0279 0.2555 0.5
Echinococcus granulosus protein kinase c epsilon type 0.0131 0.0863 0.0683
Entamoeba histolytica protein kinase, putative 0.0077 0.0239 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.2555 0.5
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.0577 0.5
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Schistosoma mansoni serine/threonine protein kinase 0.0131 0.0863 0.0639
Brugia malayi p70 ribosomal S6 kinase beta 0.0077 0.0239 0.028
Loa Loa (eye worm) AGC/PKN protein kinase 0.0077 0.0239 0.0261
Mycobacterium ulcerans peptide deformylase 0.0279 0.2555 0.5
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0077 0.0239 0.0261
Echinococcus granulosus Protein kinase C brain isozyme 0.0131 0.0863 0.0683
Brugia malayi Protein kinase domain containing protein 0.0077 0.0239 0.028
Entamoeba histolytica protein kinase, putative 0.0077 0.0239 0.5
Plasmodium falciparum peptide deformylase 0.0279 0.2555 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.0577 0.5
Echinococcus multilocularis protein kinase c iota type 0.0873 0.9375 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0077 0.0239 0.0261
Loa Loa (eye worm) hypothetical protein 0.0077 0.0239 0.0261
Onchocerca volvulus 0.0056 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0077 0.0239 0.028
Brugia malayi protein kinase C II. 0.0131 0.0863 0.1014
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.0577 0.5
Brugia malayi Hr1 repeat family protein 0.0077 0.0239 0.028
Echinococcus multilocularis protein kinase c epsilon type 0.0131 0.0863 0.0683
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Trypanosoma brucei Peptide deformylase 2 0.0106 0.0577 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0077 0.0239 0.0261
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0239 1
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0852 0.9136 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 343 nM Inhibitory activity towards Ni-peptide deformylase of Staphylococcus aureus ChEMBL. 15006385
IC50 (binding) = 343 nM Inhibitory activity towards Ni-peptide deformylase of Staphylococcus aureus ChEMBL. 15006385

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

1 literature reference was collected for this gene.

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