Detailed information for compound 79850

Basic information

Technical information
  • TDR Targets ID: 79850
  • Name: 2-[5-chloro-1-(cyclopropylmethyl)-2,2-dioxo-4 H-benzo[c][1,2,6]thiadiazin-3-yl]-N-hydroxyac etamide
  • MW: 345.802 | Formula: C13H16ClN3O4S
  • H donors: 2 H acceptors: 4 LogP: 0.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CN1Cc2c(Cl)cccc2N(S1(=O)=O)CC1CC1
  • InChi: 1S/C13H16ClN3O4S/c14-11-2-1-3-12-10(11)7-16(8-13(18)15-19)22(20,21)17(12)6-9-4-5-9/h1-3,9,19H,4-8H2,(H,15,18)
  • InChiKey: QFNNBUQZNACEOM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-chloro-1-(cyclopropylmethyl)-2,2-dioxo-4H-benzo[c][1,2,6]thiadiazin-3-yl]ethanehydroxamic acid
  • 2-[5-chloro-1-(cyclopropylmethyl)-2,2-dioxo-4H-benzo[c][1,2,6]thiadiazin-3-yl]-N-hydroxy-ethanamide
  • 2-[5-chloro-1-(cyclopropylmethyl)-2,2-diketo-4H-benzo[c][1,2,6]thiadiazin-3-yl]ethanehydroxamic acid
  • 2-[5-chloro-1-(cyclopropylmethyl)-2,2-dioxo-4H-benzo[d][1,2,6]thiadiazin-3-yl]-N-hydroxyacetamide
  • 2-[5-chloro-1-(cyclopropylmethyl)-2,2-dioxo-4H-benzo[d][1,2,6]thiadiazin-3-yl]ethanehydroxamic acid
  • 2-[5-chloro-1-(cyclopropylmethyl)-2,2-diketo-4H-benzo[d][1,2,6]thiadiazin-3-yl]ethanehydroxamic acid
  • 2-[5-chloro-1-(cyclopropylmethyl)-2,2-dioxo-4H-benzo[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
Neospora caninum Peptide deformylase, related Get druggable targets OG5_128237 All targets in OG5_128237
Toxoplasma gondii hypothetical protein 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
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE 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
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
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 knowlesi peptide deformylase, putative 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
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 cpg binding protein 0.0029 0.0913 0.4331
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0109 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0995 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0474 0.3522
Echinococcus granulosus cpg binding protein 0.003 0.0972 0.9744
Brugia malayi CXXC zinc finger family protein 0.0029 0.0913 0.8987
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0415 0.3277
Schistosoma mansoni intermediate filament proteins 0.0031 0.0995 0.4727
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0109 1
Trypanosoma brucei Peptide deformylase 2 0.0106 0.3738 0.5
Treponema pallidum polypeptide deformylase (def) 0.0279 1 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 1 0.5
Echinococcus multilocularis lamin dm0 0.0031 0.0995 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Schistosoma mansoni lamin 0.0031 0.0995 0.4727
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.3738 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.3738 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0109 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0415 0.2744
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0913 0.8982
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Mycobacterium ulcerans peptide deformylase 0.0279 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Echinococcus granulosus intermediate filament protein 0.0031 0.0995 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Echinococcus multilocularis cpg binding protein 0.003 0.0972 0.9744
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Echinococcus granulosus lamin dm0 0.0031 0.0995 1
Trypanosoma brucei Polypeptide deformylase 1 0.0106 0.3738 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0415 0.3277
Trichomonas vaginalis helicase, putative 0.0006 0.0109 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Toxoplasma gondii hypothetical protein 0.0279 1 1
Echinococcus multilocularis musashi 0.0031 0.0995 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 1 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0109 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 1 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0195 0.0735
Loa Loa (eye worm) hypothetical protein 0.0014 0.0394 0.2488
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0109 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0109 1
Schistosoma mansoni cpg binding protein 0.003 0.0972 0.4619
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0995 1
Plasmodium falciparum peptide deformylase 0.0279 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0974 0.9743
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.2079 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0474 0.3489
Plasmodium vivax peptide deformylase, putative 0.0279 1 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0195 0.0735
Onchocerca volvulus 0.0031 0.0995 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0394 0.2488
Schistosoma mansoni lamin 0.0031 0.0995 0.4727
Echinococcus multilocularis lamin 0.0031 0.0995 1
Echinococcus granulosus lamin 0.0031 0.0995 1
Brugia malayi intermediate filament protein 0.0031 0.0995 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0106 0.3738 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0109 1
Leishmania major polypeptide deformylase-like protein, putative 0.0106 0.3738 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0109 1
Onchocerca volvulus 0.0031 0.0995 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0132 0.0531
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0995 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0106 0.3738 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0109 1
Schistosoma mansoni cpg binding protein 0.003 0.0972 0.4619
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0995 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.11 uM Inhibition of the isolated native E. coli peptide deformylase (PDF) ChEMBL. 11384231
IC50 (binding) = 0.11 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) > 64 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
MIC (functional) > 64 ug ml-1 In vitro antibacterial activity against Escherichia coli 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.