Detailed information for compound 79102

Basic information

Technical information
  • TDR Targets ID: 79102
  • Name: 2-(5-bromo-2,2-dioxo-1,4-dihydrobenzo[c][1,2, 6]thiadiazin-3-yl)-N-hydroxyacetamide
  • MW: 336.162 | Formula: C9H10BrN3O4S
  • H donors: 3 H acceptors: 4 LogP: -0.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CN1Cc2c(Br)cccc2NS1(=O)=O
  • InChi: 1S/C9H10BrN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
  • InChiKey: DGNVJCMNJJWGBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(5-bromo-2,2-dioxo-1,4-dihydrobenzo[c][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
  • 2-(5-bromo-2,2-dioxo-1,4-dihydrobenzo[c][1,2,6]thiadiazin-3-yl)-N-hydroxy-ethanamide
  • 2-(5-bromo-2,2-diketo-1,4-dihydrobenzo[c][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
  • 2-(5-bromo-2,2-dioxo-1,4-dihydrobenzo[d][1,2,6]thiadiazin-3-yl)-N-hydroxyacetamide
  • 2-(5-bromo-2,2-dioxo-1,4-dihydrobenzo[d][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
  • 2-(5-bromo-2,2-diketo-1,4-dihydrobenzo[d][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
  • 2-(5-bromo-2,2-dioxo-1,4-dihydrobenzo[d][1,2,6]thiadiazin-3-yl)-N-hydroxy-ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli peptide deformylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine 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
Wolbachia endosymbiont of Brugia malayi peptide 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
Treponema pallidum polypeptide deformylase (def) 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
Toxoplasma gondii hypothetical protein 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 berghei peptide deformylase, putative 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 knowlesi 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
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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.807 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.7552 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.286 0.3787
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.807 0.5
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0099 0.1331 0.016
Giardia lamblia DNA repair protein RAD52 0.0349 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.1573 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.7092 0.9392
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.286 0.3787
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.807 0.7809
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.1573 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.807 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.807 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.807 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.807 0.7809
Chlamydia trachomatis peptide deformylase 0.0279 0.7552 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.807 0.5
Plasmodium falciparum peptide deformylase 0.0279 0.7552 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.1573 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.7552 1
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.1573 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.807 0.5
Plasmodium vivax peptide deformylase, putative 0.0279 0.7552 0.5
Entamoeba histolytica hypothetical protein 0.0099 0.1331 0.016
Mycobacterium ulcerans peptide deformylase 0.0279 0.7552 1
Trypanosoma brucei Peptide deformylase 2 0.0106 0.1573 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0294 0.807 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.119 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.7552 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.1573 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.1573 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.807 0.5
Toxoplasma gondii hypothetical protein 0.0279 0.7552 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.098 uM Inhibition of the isolated native E. coli peptide deformylase (PDF) ChEMBL. 11384231
IC50 (binding) = 0.098 uM Inhibition of the isolated native E. coli peptide deformylase (PDF) ChEMBL. 11384231
MIC (functional) = 4 ug ml-1 In vitro antibacterial activity against Moraxella catarrhalis RA21 ChEMBL. 11384231
MIC (functional) = 32 ug ml-1 In vitro antibacterial activity against Escherichia coli ChEMBL. 11384231
MIC (functional) = 32 ug ml-1 In vitro antibacterial activity against Escherichia coli ChEMBL. 11384231
MIC (functional) > 64 ug ml-1 In vitro antibacterial activity against Haemophilus influenzae 11 ChEMBL. 11384231

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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