Detailed information for compound 59602

Basic information

Technical information
  • TDR Targets ID: 59602
  • Name: 5-methoxy-2-methyl-1,3-benzothiazole-4,7-dion e
  • MW: 209.222 | Formula: C9H7NO3S
  • H donors: 0 H acceptors: 3 LogP: 1.73 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=CC(=O)c2c(C1=O)nc(s2)C
  • InChi: 1S/C9H7NO3S/c1-4-10-7-8(12)6(13-2)3-5(11)9(7)14-4/h3H,1-2H3
  • InChiKey: WAYQKVSKSDCGSG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-methoxy-2-methyl-1,3-benzothiazole-4,7-quinone
  • AIDS-097155
  • AIDS097155
  • 5-Methoxy-2-methylbenzothiazole-4,7-dione

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0519 1 1
Plasmodium vivax vivapain-2 0.0519 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0519 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0347 0.3182 0.3182
Leishmania major cathepsin L-like protease 0.0519 1 0.5
Onchocerca volvulus 0.0519 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0519 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0519 1 1
Brugia malayi Cathepsin L-like precursor 0.0347 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0519 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0347 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Leishmania major cathepsin L-like protease 0.0519 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0519 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0519 1 1
Leishmania major cathepsin L-like protease 0.0519 1 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0519 1 1
Plasmodium vivax vivapain-2 0.0519 1 1
Echinococcus granulosus cathepsin l1 0.0347 0.3182 0.3182
Brugia malayi Cathepsin L-like precursor 0.0519 1 1
Onchocerca volvulus 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1
Leishmania major cathepsin L-like protease 0.0519 1 0.5
Onchocerca volvulus 0.0519 1 1
Echinococcus multilocularis cysteine protease 0.0519 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0347 0.3182 0.3182
Echinococcus multilocularis cathepsin L cysteine protease 0.0519 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0519 1 1
Onchocerca volvulus Cathepsin L homolog 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Onchocerca volvulus 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0519 1 1
Onchocerca volvulus Cathepsin L homolog 0.0519 1 1
Loa Loa (eye worm) fibroinase 0.0519 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0347 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1
Onchocerca volvulus Cathepsin F homolog 0.0519 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0519 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3182 0.3182
Trypanosoma cruzi cysteine peptidase, putative 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Loa Loa (eye worm) cysteine protease 0.0519 1 1
Toxoplasma gondii cathepsin CPL 0.0519 1 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Loa Loa (eye worm) ctsf protein 0.0519 1 1
Loa Loa (eye worm) hypothetical protein 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1
Leishmania major cathepsin L-like protease 0.0519 1 0.5
Onchocerca volvulus 0.0519 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Brugia malayi cathepsin L-like precursor 0.0347 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Brugia malayi Cathepsin L-like precursor 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3182 0.3182
Trypanosoma cruzi cruzipain precursor, putative 0.0519 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Brugia malayi Cathepsin L-like precursor 0.0519 1 1
Leishmania major cathepsin L-like protease 0.0519 1 0.5
Leishmania major cathepsin L-like protease 0.0519 1 0.5
Echinococcus multilocularis cysteine protease 0.0519 1 1
Brugia malayi Cathepsin L-like precursor 0.0347 0.3182 0.3182
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0519 1 1
Echinococcus granulosus cathepsin l1 0.0519 1 1
Brugia malayi Cathepsin L-like precursor 0.0519 1 1
Leishmania major cathepsin L-like protease 0.0519 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0519 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0519 1 1
Onchocerca volvulus 0.0519 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0519 1 1
Onchocerca volvulus 0.0519 1 1
Brugia malayi Cathepsin L-like precursor 0.0519 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0519 1 1
Entamoeba histolytica cysteine protease, putative 0.0519 1 1
Leishmania major cysteine peptidase A (CPA) 0.0519 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0519 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) NT 0 ug ml-1 In vitro cytotoxicity against HepG2 cells (Hepatocarcinoma from ATCC) by MTT assay ChEMBL. 10915058
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Aspergillus niger KCTC 1231 ChEMBL. 10915058
MIC (functional) = 25 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 ChEMBL. 10915058
MIC (functional) = 25 ug ml-1 Antifungal activity against Candida tropicalis ATCC 28775 ChEMBL. 10915058
MIC (functional) = 25 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 ChEMBL. 10915058
MIC (functional) = 50 ug ml-1 Antifungal activity against Candida krusei ATCC 749 ChEMBL. 10915058

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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