Detailed information for compound 81169

Basic information

Technical information
  • TDR Targets ID: 81169
  • Name: 2-(5-chloro-2,2-dioxo-1,4-dihydrobenzo[c][1,2 ,6]thiadiazin-3-yl)-N-hydroxyacetamide
  • MW: 291.711 | Formula: C9H10ClN3O4S
  • H donors: 3 H acceptors: 4 LogP: -0.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CN1Cc2c(Cl)cccc2NS1(=O)=O
  • InChi: 1S/C9H10ClN3O4S/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: MNAUWMOCDLCGGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(5-chloro-2,2-dioxo-1,4-dihydrobenzo[c][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
  • 2-(5-chloro-2,2-dioxo-1,4-dihydrobenzo[c][1,2,6]thiadiazin-3-yl)-N-hydroxy-ethanamide
  • 2-(5-chloro-2,2-diketo-1,4-dihydrobenzo[c][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
  • 2-(5-chloro-2,2-dioxo-1,4-dihydrobenzo[d][1,2,6]thiadiazin-3-yl)-N-hydroxyacetamide
  • 2-(5-chloro-2,2-dioxo-1,4-dihydrobenzo[d][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
  • 2-(5-chloro-2,2-diketo-1,4-dihydrobenzo[d][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
  • 2-(5-chloro-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
Homo sapiens matrix metallopeptidase 13 (collagenase 3) Starlite/ChEMBL References
Homo sapiens endothelin converting enzyme 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 Get druggable targets OG5_127344 All targets in OG5_127344
Neospora caninum hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus multilocularis endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Neospora caninum Peptide deformylase, related Get druggable targets OG5_128237 All targets in OG5_128237
Mycobacterium ulcerans zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Plasmodium berghei peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Onchocerca volvulus Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium ulcerans peptide deformylase Get druggable targets OG5_128237 All targets in OG5_128237
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Toxoplasma gondii hypothetical protein 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 leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) Get druggable targets OG5_128237 All targets in OG5_128237
Schistosoma japonicum ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative Get druggable targets OG5_127344 All targets in OG5_127344
Plasmodium falciparum 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
Mycobacterium leprae probable zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus granulosus endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Toxoplasma gondii peptidase family M13 protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Plasmodium knowlesi peptide deformylase, putative Get druggable targets OG5_128237 All targets in OG5_128237
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma mansoni family M13 unassigned peptidase (M13 family) Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum IPR000718,Peptidase M13, neprilysin,domain-containing Get druggable targets OG5_127344 All targets in OG5_127344
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 13 (collagenase 3) 471 aa 448 aa 34.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax peptide deformylase, putative 0.0279 0.8066 0.6294
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0279 0.8066 0.7564
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0114 0.206 0.206
Chlamydia trachomatis peptide deformylase 0.0279 0.8066 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.1047 0.102
Loa Loa (eye worm) hypothetical protein 0.0114 0.206 0.2036
Trichomonas vaginalis adenosine deaminase, putative 0.0332 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.526 0.5246
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0189 0.4781 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0332 1 1
Trypanosoma brucei AMP deaminase, putative 0.0189 0.4781 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0279 0.8066 0.5
Leishmania major AMP deaminase, putative 0.0189 0.4781 0.365
Schistosoma mansoni adenosine deaminase-related 0.0332 1 1
Toxoplasma gondii hypothetical protein 0.0279 0.8066 0.7564
Loa Loa (eye worm) hypothetical protein 0.0202 0.526 0.5246
Loa Loa (eye worm) AMP deaminase 0.0189 0.4781 0.4765
Leishmania major adenine aminohydrolase 0.0332 1 1
Trypanosoma cruzi AMP deaminase 2, putative 0.013 0.2642 0.2872
Loa Loa (eye worm) hypothetical protein 0.0332 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0041 0.0011
Onchocerca volvulus 0.013 0.2642 0.262
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.0189 0.4781 0.365
Trypanosoma cruzi AMP deaminase, putative 0.0189 0.4781 1
Echinococcus multilocularis endothelin converting enzyme 1 0.0114 0.206 0.0777
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0279 0.8066 0.7564
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.0189 0.4781 0.365
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0189 0.4781 1
Echinococcus granulosus adenosine deaminase 0.0332 1 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0332 1 1
Echinococcus granulosus endothelin converting enzyme 1 0.0114 0.206 0.0777
Loa Loa (eye worm) hypothetical protein 0.013 0.2642 0.262
Trichomonas vaginalis adenosine deaminase, putative 0.0332 1 0.5
Treponema pallidum adenosine deaminase 0.0332 1 1
Plasmodium falciparum adenosine deaminase 0.0332 1 1
Echinococcus multilocularis adenosine deaminase 0.0332 1 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.526 0.5246
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0189 0.4781 1
Loa Loa (eye worm) matrixin family protein 0.0064 0.0222 0.0192
Loa Loa (eye worm) hypothetical protein 0.0114 0.206 0.2036
Echinococcus granulosus AMP deaminase 2 0.0189 0.4781 0.3938
Trypanosoma cruzi AMP deaminase, putative 0.0189 0.4781 1
Schistosoma mansoni adenosine deaminase 0.0332 1 1
Plasmodium falciparum peptide deformylase 0.0279 0.8066 0.6294
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0114 0.206 0.1879
Trypanosoma cruzi AMP deaminase, putative 0.0189 0.4781 1
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.0189 0.4781 0.365
Entamoeba histolytica adenosine deaminase, putative 0.0332 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0189 0.4781 1
Trypanosoma brucei AMP deaminase, putative 0.0189 0.4781 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1047 0.102
Loa Loa (eye worm) hypothetical protein 0.0202 0.526 0.5246
Trypanosoma brucei AMP deaminase, putative 0.0189 0.4781 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0332 1 1
Mycobacterium ulcerans adenosine deaminase 0.0332 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0189 0.4781 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1047 0.102
Loa Loa (eye worm) hypothetical protein 0.0086 0.1047 0.102
Loa Loa (eye worm) hypothetical protein 0.0086 0.1047 0.102
Plasmodium vivax adenosine deaminase, putative 0.0332 1 1
Schistosoma mansoni AMP deaminase 0.0189 0.4781 0.4781
Onchocerca volvulus AMP deaminase 2 homolog 0.0189 0.4781 0.4765
Brugia malayi Peptidase family M13 containing protein 0.0114 0.206 0.1879
Leishmania major hypothetical protein, conserved 0.013 0.2642 0.1048
Toxoplasma gondii AMP deaminase 0.0189 0.4781 0.3427
Loa Loa (eye worm) hypothetical protein 0.0086 0.1047 0.102
Loa Loa (eye worm) hypothetical protein 0.0084 0.0975 0.0947
Brugia malayi adenosine monophosphate deaminase 0.0189 0.4781 0.4663
Loa Loa (eye worm) hypothetical protein 0.0084 0.0975 0.0947
Mycobacterium ulcerans peptide deformylase 0.0279 0.8066 0.7564
Echinococcus multilocularis AMP deaminase 2 0.0189 0.4781 0.3938
Loa Loa (eye worm) hypothetical protein 0.0084 0.0975 0.0947
Loa Loa (eye worm) peptidase family M13 containing protein 0.0084 0.0975 0.0947
Loa Loa (eye worm) peptidase family M13 containing protein 0.0084 0.0975 0.0947
Onchocerca volvulus Adenosine deaminase homolog 0.0332 1 1
Entamoeba histolytica adenosine deaminase, putative 0.0332 1 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0975 0.0947
Loa Loa (eye worm) hypothetical protein 0.0114 0.206 0.2036
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0332 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 uM Inhibition of the isolated native E. coli peptide deformylase (PDF) ChEMBL. 11384231
IC50 (binding) = 0.12 uM Inhibition of the isolated native E. coli peptide deformylase (PDF) ChEMBL. 11384231
IC50 (binding) = 0.5 uM Inhibition of Collagenase-3, matrix metalloptroteinase-13 (MMP-13). ChEMBL. 11384231
IC50 (binding) = 0.5 uM Inhibition of Collagenase-3, matrix metalloptroteinase-13 (MMP-13). ChEMBL. 11384231
IC50 (binding) > 10 uM Inhibition against endothelin-converting enzyme. ChEMBL. 11384231
IC50 (binding) > 10 uM Inhibition against endothelin-converting enzyme. ChEMBL. 11384231
IC50 (binding) > 100 uM Inhibition against angiotensin I converting enzyme ChEMBL. 11384231
IC50 (binding) > 100 uM Inhibition against neutral endopeptidase ChEMBL. 11384231
IC50 (binding) > 100 uM Inhibition of human macrophage elastase, matrix metalloproteinase-12 (MMP-12). ChEMBL. 11384231
IC50 (binding) > 100 uM Inhibition against angiotensin I converting enzyme ChEMBL. 11384231
IC50 (binding) > 100 uM Inhibition against neutral endopeptidase ChEMBL. 11384231
IC50 (binding) > 100 uM Inhibition of human macrophage elastase, matrix metalloproteinase-12 (MMP-12). ChEMBL. 11384231
MIC (functional) = 8 ug ml-1 In vitro antibacterial activity against Moraxella catarrhalis RA21 ChEMBL. 11384231
MIC (functional) = 16 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
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.

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