Detailed information for compound 48325

Basic information

Technical information
  • TDR Targets ID: 48325
  • Name: N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin- 2-yl)acetamide
  • MW: 252.29 | Formula: C11H12N2O3S
  • H donors: 2 H acceptors: 3 LogP: 0.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CC1Sc2ccccc2N(C1=O)C
  • InChi: 1S/C11H12N2O3S/c1-13-7-4-2-3-5-8(7)17-9(11(13)15)6-10(14)12-16/h2-5,9,16H,6H2,1H3,(H,12,14)
  • InChiKey: HTOKZQYVLHRUDM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)ethanehydroxamic acid
  • N-hydroxy-2-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)ethanamide
  • 2-(3-keto-4-methyl-1,4-benzothiazin-2-yl)ethanehydroxamic acid

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
Plasmodium falciparum peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium ulcerans 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
Plasmodium knowlesi 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
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 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
Treponema pallidum polypeptide deformylase (def) 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
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) Get druggable targets OG5_128237 All targets in OG5_128237
Toxoplasma gondii hypothetical protein 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
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
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0435 1 1
Trypanosoma cruzi GMP reductase 0.0435 1 1
Trypanosoma brucei Peptide deformylase 2 0.0106 0.1671 0.1014
Trypanosoma brucei GMP reductase 0.0435 1 1
Loa Loa (eye worm) GMP reductase 0.0181 0.3558 0.3558
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0435 1 1
Giardia lamblia Hypothetical protein 0.0042 0.003 0.5
Treponema pallidum polypeptide deformylase (def) 0.0279 0.6037 0.5
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0435 1 1
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.1671 0.1014
Mycobacterium ulcerans peptide deformylase 0.0279 0.6037 0.6025
Onchocerca volvulus Putative GMP reductase 0.0181 0.3558 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0435 1 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0229 0.4765 0.0954
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.1671 0.1014
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.007 0.0761 0.0032
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0409 0.9345 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.007 0.0761 0.0032
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0409 0.9345 0.9343
Leishmania major guanosine monophosphate reductase 0.0435 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.1671 0.1014
Loa Loa (eye worm) IMP dehydrogenase 1 0.0435 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.007 0.0761 0.0032
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.1671 0.1014
Giardia lamblia Hypothetical protein 0.0042 0.003 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.007 0.0761 0.0032
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0435 1 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0042 0.003 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0435 1 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0207 0.4213 0.4195
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0435 1 1
Trypanosoma cruzi GMP reductase 0.0435 1 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.6037 0.243
Toxoplasma gondii IMP dehydrogenas 0.0435 1 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0409 0.9345 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.1671 0.1014
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0435 1 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0435 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0731 0.0731
Loa Loa (eye worm) hypothetical protein 0.007 0.0761 0.0761
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0435 1 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0435 1 1
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.1671 0.1014
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.6037 0.3152
Leishmania major inosine-5-monophosphate dehydrogenase 0.0435 1 1
Chlamydia trachomatis peptide deformylase 0.0279 0.6037 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 37 nM Inhibitory activity towards Ni-peptide deformylase of Staphylococcus aureus ChEMBL. 15006385
IC50 (binding) = 37 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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