Detailed information for compound 650968

Basic information

Technical information
  • TDR Targets ID: 650968
  • Name: N-(4-nitrophenyl)-2-(3-oxo-4H-1,4-benzothiazi n-2-yl)acetamide
  • MW: 343.357 | Formula: C16H13N3O4S
  • H donors: 2 H acceptors: 4 LogP: 2.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1Sc2ccccc2NC1=O)Nc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C16H13N3O4S/c20-15(17-10-5-7-11(8-6-10)19(22)23)9-14-16(21)18-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H,17,20)(H,18,21)
  • InChiKey: YLAHLKZWHNRVTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-keto-4H-1,4-benzothiazin-2-yl)-N-(4-nitrophenyl)acetamide
  • N-(4-nitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethanamide
  • EU-0075154
  • ST5104560
  • BIM-0037133.P001
  • Oprea1_132976
  • CBMicro_037133

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Onchocerca volvulus 0.0035 0.042 0.0297
Echinococcus granulosus carbonic anhydrase 0.0088 0.297 0.3838
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.042 0.0002
Onchocerca volvulus 0.0029 0.0164 0.0037
Loa Loa (eye worm) hypothetical protein 0.0035 0.042 0.0487
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0614 0.1606
Echinococcus multilocularis carbonic anhydrase 0.0088 0.297 0.3838
Plasmodium falciparum carbonic anhydrase 0.0088 0.297 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.042 0.0487
Brugia malayi Inositol-1 0.0039 0.0614 0.0712
Mycobacterium tuberculosis Conserved protein 0.0035 0.042 0.0002
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0614 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0614 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0164 0.0212
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0614 0.0265
Mycobacterium tuberculosis Conserved protein 0.0035 0.042 0.0002
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.042 0.0543
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0187 0.7738 0.8963
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0187 0.7738 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0187 0.7738 1
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0038 0.0573 0.0741
Schistosoma mansoni aryl hydrocarbon receptor 0.005 0.1159 0.1498
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.042 0.0002
Onchocerca volvulus 0.0035 0.042 0.0297
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0164 0.0212
Echinococcus granulosus carbonic anhydrase 0.0088 0.297 0.3838
Schistosoma mansoni carbonic anhydrase-related 0.0088 0.297 0.3838
Brugia malayi bHLH-PAS transcription factor 0.0037 0.0532 0.0616
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0164 0.0212
Loa Loa (eye worm) hypothetical protein 0.0088 0.297 0.344
Schistosoma mansoni single-minded 0.005 0.1159 0.1498
Brugia malayi beta-lactamase family protein 0.0035 0.042 0.0487
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0614 0.0794
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0088 0.297 0.344
Leishmania major carbonic anhydrase-like protein 0.0187 0.7738 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.042 0.0002
Loa Loa (eye worm) hypothetical protein 0.0091 0.3122 0.3616
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0088 0.297 0.344
Brugia malayi beta-lactamase 0.0035 0.042 0.0487
Brugia malayi Pre-SET motif family protein 0.0205 0.8634 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.042 1
Toxoplasma gondii hypothetical protein 0.0088 0.297 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0187 0.7738 1
Brugia malayi ADAMTS-like protease 0.0028 0.0088 0.0102
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0614 1
Onchocerca volvulus 0.0037 0.0532 0.041
Brugia malayi hypoxia-induced factor 1 0.0155 0.6217 0.72
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.042 0.0002
Loa Loa (eye worm) hypothetical protein 0.0035 0.042 0.0487
Loa Loa (eye worm) hypothetical protein 0.0035 0.042 0.0487
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0614 0.0202
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0187 0.7738 0.8963
Echinococcus multilocularis carbonic anhydrase 0.0088 0.297 0.3838
Onchocerca volvulus 0.0035 0.042 0.0297
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0088 0.297 0.344
Trichomonas vaginalis set domain proteins, putative 0.0234 1 1
Schistosoma mansoni inositol monophosphatase 0.0039 0.0614 0.0794
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0164 0.0212
Mycobacterium leprae conserved hypothetical protein 0.0035 0.042 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.042 0.0002
Loa Loa (eye worm) hypothetical protein 0.0029 0.0127 0.0147
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0614 0.0202
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0088 0.297 0.344
Trypanosoma brucei carbonic anhydrase-like protein 0.0187 0.7738 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0164 0.019
Schistosoma mansoni inositol monophosphatase 0.0039 0.0614 0.0794
Loa Loa (eye worm) hypothetical protein 0.0029 0.0164 0.019
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0614 0.0265
Mycobacterium ulcerans putative regulatory protein 0.0037 0.0532 0.5757
Loa Loa (eye worm) hypothetical protein 0.0035 0.042 0.0487
Schistosoma mansoni carbonic anhydrase 0.0088 0.297 0.3838
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0614 0.0794
Loa Loa (eye worm) hypoxia-induced factor 1 0.0155 0.6217 0.72
Schistosoma mansoni carbonic anhydrase-related 0.0088 0.297 0.3838
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0614 0.0265
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0038 0.0573 0.0741
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.042 0.0002
Echinococcus granulosus single minded 2 0.0037 0.0532 0.0688
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.042 0.0002
Loa Loa (eye worm) hypothetical protein 0.0168 0.6844 0.7927
Schistosoma mansoni hypothetical protein 0.0088 0.297 0.3838
Loa Loa (eye worm) hypothetical protein 0.0035 0.042 0.0487
Brugia malayi angiogenesis inhibito 0.0028 0.0088 0.0102
Loa Loa (eye worm) beta-lactamase 0.0035 0.042 0.0487
Loa Loa (eye worm) hypothetical protein 0.0088 0.297 0.344
Toxoplasma gondii ABC1 family protein 0.0035 0.042 0.0914
Brugia malayi PAS domain containing protein 0.005 0.1159 0.1343
Loa Loa (eye worm) hypothetical protein 0.0035 0.042 0.0487
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0187 0.7738 0.8963
Brugia malayi hypothetical protein 0.0168 0.6844 0.7927
Echinococcus granulosus carbonic anhydrase II 0.0187 0.7738 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.8634 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.042 0.0002
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.042 0.0543
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0614 0.0202
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0164 0.0212
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.0532 0.0688
Brugia malayi beta-lactamase family protein 0.0035 0.042 0.0487
Schistosoma mansoni carbonic anhydrase-related 0.0088 0.297 0.3838
Echinococcus granulosus carbonic anhydrase 0.0088 0.297 0.3838
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0164 0.0212
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.042 0.0487
Echinococcus multilocularis carbonic anhydrase II 0.0187 0.7738 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.042 0.0543
Loa Loa (eye worm) inositol-1 0.0039 0.0614 0.0712
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0038 0.0573 0.0741
Loa Loa (eye worm) hypothetical protein 0.0088 0.297 0.344
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0088 0.297 0.344
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.9446 1
Echinococcus multilocularis carbonic anhydrase 0.0088 0.297 0.3838
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0164 0.0212
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0088 0.297 0.344
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.042 0.0543
Loa Loa (eye worm) carbonic anhydrase 3 0.0187 0.7738 0.8963
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0112 0.0144
Brugia malayi ADAM-TS Spacer 1 family protein 0.0091 0.3122 0.3616
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0187 0.7738 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.042 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0614 0.0265

Activities

No activities found for this compound.

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

No literature references available for this target.

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