Detailed information for compound 1556046

Basic information

Technical information
  • TDR Targets ID: 1556046
  • Name: 1-methyl-2,1-benzothiazol-3-one
  • MW: 165.212 | Formula: C8H7NOS
  • H donors: 0 H acceptors: 1 LogP: 2 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1sc(=O)c2c1cccc2
  • InChi: 1S/C8H7NOS/c1-9-7-5-3-2-4-6(7)8(10)11-9/h2-5H,1H3
  • InChiKey: GZKBHFYWYXKWJQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00150853
  • BTB 03211

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 PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0145 0.0739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0042 0.1443
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0022 0.0145 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0245 0.2896 1
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0022 0.0145 0.5
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0022 0.0145 0.0102
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0117 0.6215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0117 0.6215
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0186 0.0186
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0447 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0245 0.2896 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0142 0.7623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0022 0.0145 0.0102
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0101 0.2271
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0145 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.001 0.0003 0.001
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0022 0.0145 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0186 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0117 0.0595
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0117 0.6215
Schistosoma mansoni DNA polymerase eta 0.002 0.0117 0.0595
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0101 0.5386
Trypanosoma brucei unspecified product 0.0013 0.0042 0.1443
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Mycobacterium ulcerans acetylornithine aminotransferase 0.0022 0.0145 0.0102
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0042 0.1443
Trypanosoma brucei unspecified product 0.0013 0.0042 0.1443
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0145 0.0145
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0102 0.541
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0022 0.0145 0.0102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0447 0.2279
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0022 0.0145 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0003 0.0068
Echinococcus multilocularis geminin 0.0169 0.196 0.196
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0022 0.0145 0.7759
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.0101 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Echinococcus multilocularis dna polymerase eta 0.002 0.0117 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0022 0.0145 0.0102
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0117 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0186 0.0948
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0393
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0447 0.2279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Schistosoma mansoni hypothetical protein 0.0169 0.196 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0117 0.0595
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0101 0.4987
Leishmania major DNA polymerase kappa, putative 0.002 0.0117 1
Giardia lamblia DINP protein human, muc B family 0.002 0.0117 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0117 0.6215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0447 0.1543
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0117 0.5888
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0022 0.0145 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0117 0.0117
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0101 0.4987
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0101 0.0101
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0101 0.0101
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0145 0.0739
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0145 0.0102
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0117 0.5888
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0145 0.5
Echinococcus granulosus serine:threonine protein kinase SMG1 0.001 0.0003 0.0015
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0018 0.0101 0.5386
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0447 0.0447
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0186 0.0642
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0117 0.6215
Trypanosoma brucei unspecified product 0.002 0.0117 0.5888
Mycobacterium tuberculosis Probable aminotransferase 0.0022 0.0145 0.0102
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0101 0.2271
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0447 0.2279
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0042 0.1443
Echinococcus granulosus dna polymerase eta 0.002 0.0117 0.0595
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0117 0.5888
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0145 0.0102
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0101 0.0518
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0447 0.2279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0447 0.0447
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0102 0.0288
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0101 0.4987
Schistosoma mansoni fkbp-rapamycin associated protein 0.001 0.0003 0.0015
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0117 0.0403
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0101 0.0518
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0117 0.6215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0101 0.4987
Onchocerca volvulus 0.001 0 0.5
Leishmania major DNA polymerase eta, putative 0.002 0.0117 1
Toxoplasma gondii FATC domain-containing protein 0.0025 0.0186 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0186 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0101 0.5386
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0145 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0101 0.035
Echinococcus granulosus dna polymerase kappa 0.002 0.0117 0.0595
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0101 0.035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0018 0.0796
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0101 0.5386
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0101 0.0518
Loa Loa (eye worm) hypothetical protein 0.002 0.0117 0.261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0018 0.0796
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0117 0.0403
Entamoeba histolytica hypothetical protein 0.0025 0.0186 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0245 0.2896 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0117 0.261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.001 0.0003 0.0003
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0145 0.7566
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Echinococcus granulosus geminin 0.0169 0.196 1
Schistosoma mansoni hypothetical protein 0.0169 0.196 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0018 0.0101 0.5386
Echinococcus granulosus Aminotransferase class III 0.0022 0.0145 0.0739
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0117 0.0595
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Echinococcus multilocularis dna polymerase kappa 0.002 0.0117 0.0117
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0145 0.0145
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0022 0.0145 0.0102
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0186 0.0948
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0117 0.6215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0447 0.2279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0117 0.5888
Loa Loa (eye worm) hypothetical protein 0.0022 0.0142 0.3187
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.5888
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0022 0.0145 0.0102
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.0186 1
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0145 0.5
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0101 0.0518
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0101 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Mycobacterium ulcerans hypothetical protein 0.0022 0.0145 0.0102
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0101 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0101 0.5386
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0117 0.6215
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0101 0.5386

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 25 uM PUBCHEM_BIOASSAY: G6DPH counterscreen for TbHK1 inhibitors - Analogues series. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1430, AID1632, AID2230, AID2600, AID449725, AID492951] ChEMBL. No reference
IC50 (functional) > 25 uM PUBCHEM_BIOASSAY: Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1430, AID1632, AID2516, AID2560, AID2579, AID2600, AID449725, AID492951] ChEMBL. No reference

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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