Detailed information for compound 75573

Basic information

Technical information
  • TDR Targets ID: 75573
  • Name: 2-(hydroxymethyl)-1,2-benzothiazol-3-one
  • MW: 181.212 | Formula: C8H7NO2S
  • H donors: 1 H acceptors: 2 LogP: 1.42 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCn1sc2c(c1=O)cccc2
  • InChi: 1S/C8H7NO2S/c10-5-9-8(11)6-3-1-2-4-7(6)12-9/h1-4,10H,5H2
  • InChiKey: CUNHGCGTIAEQRA-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-methylol-1,2-benzothiazol-3-one
  • 7035-94-1
  • AIDS-011016
  • AIDS011016
  • N-(Hydroxymethyl)-1,2-benzisothiazolin-3-one

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
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0226 0.1338 0.1338
Onchocerca volvulus Tyrosine kinase homolog 0.0188 0.1023 0.0914
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0192 0.1054 0.5
Onchocerca volvulus Glucosylceramidase homolog 0.0194 0.1072 0.1157
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.1929 1
Echinococcus granulosus fibroblast growth factor receptor 4 0.0404 0.2837 0.5994
Echinococcus multilocularis lysosomal alpha glucosidase 0.0603 0.4514 0.9537
Toxoplasma gondii melibiase subfamily protein 0.0091 0.0205 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0603 0.4514 1
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.1929 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0603 0.4514 0.9537
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0296 0.1929 0.4002
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0296 0.1929 0.1929
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0091 0.0205 0.0432
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1072 0.5026
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1072 0.5026
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0404 0.2837 0.5994
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1072 0.5026
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0603 0.4514 0.4514
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.116 0.5537
Brugia malayi Immunoglobulin I-set domain containing protein 0.0419 0.2962 0.6398
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.116 0.5537
Schistosoma mansoni alpha-glucosidase 0.0603 0.4514 0.9516
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.1929 1
Schistosoma mansoni alpha-glucosidase 0.0603 0.4514 0.9516
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1072 0.5026
Loa Loa (eye worm) TK protein kinase 0.0419 0.2962 0.2962
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0091 0.0205 0.0432
Loa Loa (eye worm) hypothetical protein 0.0091 0.0205 0.0205
Onchocerca volvulus 0.0405 0.2848 1
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.1929 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0226 0.1338 0.263
Loa Loa (eye worm) hypothetical protein 0.0629 0.4733 0.4733
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0404 0.2837 0.5994
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1072 0.5026
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0091 0.0205 0.0432
Echinococcus multilocularis lysosomal alpha glucosidase 0.0603 0.4514 0.9537
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1072 0.5026
Schistosoma mansoni beta-galactosidase 0.0629 0.4733 1
Schistosoma mansoni tyrosine kinase 0.0404 0.2837 0.5812
Echinococcus granulosus beta galactosidase 0.0629 0.4733 1
Echinococcus multilocularis beta galactosidase 0.0629 0.4733 1
Plasmodium vivax hypothetical protein, conserved 0.0192 0.1054 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.1072 0.5026
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.1929 1
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.1929 1
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0404 0.2837 0.5994

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 100 % Antibacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition ChEMBL. 23850103
MIC (functional) = 6.25 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv isonicotinic acid hydrazideresistant strain ChEMBL. 3934384
MIC (functional) = 6.25 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv isonicotinic acid hydrazideresistant strain ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv. ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv streptomycin resistant strain ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv kanamycin resistant strain ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Mycobacterium kansasii ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Mycobacterium intracellulare. ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv. ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv streptomycin resistant strain ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Tested for antibacterial activity against Mycobacterium tuberculosis H37Rv kanamycin resistant strain ChEMBL. 3934384
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition ChEMBL. 23850103

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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