Detailed information for compound 1781367

Basic information

Technical information
  • TDR Targets ID: 1781367
  • Name: 3-benzyl-2-methyl-1,3-benzothiazol-3-ium brom ide
  • MW: 320.247 | Formula: C15H14BrNS
  • H donors: 0 H acceptors: 0 LogP: 5.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1sc2c([n+]1Cc1ccccc1)cccc2.[Br-]
  • InChi: 1S/C15H14NS.BrH/c1-12-16(11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12;/h2-10H,11H2,1H3;1H/q+1;/p-1
  • InChiKey: OJQNMYBWPLSWJX-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide

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) hypothetical protein 0.0067 0.1344 0.1344
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1211 0.1723
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1211 0.1723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1211 0.1211
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0355 0.0355
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0355 0.0788
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0086 0.1861 0.201
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0086 0.1861 0.2647
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.2196 0.2372
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0864 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0355 0.0355
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0086 0.1861 0.4138
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0355 0.0788
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0864 0.5
Echinococcus multilocularis GPCR, family 2 0.0031 0.0355 0.0788
Loa Loa (eye worm) hypothetical protein 0.0098 0.2196 0.2196
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.2733 0.2733
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0031 0.037 0.0527
Loa Loa (eye worm) subtilase 0.0273 0.703 0.703
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0864 0.5
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0273 0.703 1
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0102 0.2321 0.4645
Echinococcus granulosus geminin 0.0166 0.4088 0.8183
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0355 0.071
Loa Loa (eye worm) hypothetical protein 0.0054 0.0996 0.0996
Loa Loa (eye worm) RNA binding protein 0.0062 0.1211 0.1211
Brugia malayi hypothetical protein 0.0049 0.0864 0.0933
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1211 0.1723
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1211 0.1723
Loa Loa (eye worm) hypothetical protein 0.0049 0.0864 0.0864
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1211 0.1723
Schistosoma mansoni hypothetical protein 0.0031 0.0355 0.0504
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0181 0.4498 0.6398
Echinococcus multilocularis adam 17 protease 0.0181 0.4498 1
Schistosoma mansoni hypothetical protein 0.0166 0.4088 0.5815
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1211 0.1211
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0355 0.0383
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0113 0.0251
Loa Loa (eye worm) hypothetical protein 0.0354 0.926 0.926
Schistosoma mansoni hypothetical protein 0.0054 0.0996 0.1417
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0864 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0864 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0355 0.0504
Echinococcus granulosus adam 17 protease 0.0199 0.4996 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0354 0.926 1
Echinococcus multilocularis geminin 0.0166 0.4088 0.9089
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1211 0.1308
Echinococcus granulosus tar DNA binding protein 0.0062 0.1211 0.2425
Schistosoma mansoni hypothetical protein 0.0166 0.4088 0.5815
Brugia malayi Subtilase family protein 0.0273 0.703 0.7592
Echinococcus granulosus inhibitor of apoptosis protein 0.0054 0.0996 0.1995
Brugia malayi hypothetical protein 0.0032 0.0381 0.0412
Echinococcus multilocularis inhibitor of apoptosis protein 0.0054 0.0996 0.2215
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0355 0.0383
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0114 0.2637 0.5278
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0054 0.0996 0.1076
Brugia malayi MH2 domain containing protein 0.0117 0.2733 0.2952
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0054 0.0996 0.1417
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.2196 0.2196
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.2196 0.2372
Schistosoma mansoni hypothetical protein 0.0031 0.0355 0.0504
Brugia malayi TAR-binding protein 0.0062 0.1211 0.1308
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.2733 0.2733
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0114 0.2637 0.5862
Schistosoma mansoni hypothetical protein 0.0031 0.0355 0.0504
Schistosoma mansoni hypothetical protein 0.0067 0.1344 0.1912
Echinococcus multilocularis adam 0.0031 0.037 0.0824
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0086 0.1861 0.3725
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0054 0.0996 0.1995
Schistosoma mansoni hypothetical protein 0.0022 0.0113 0.0161
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0113 0.0226
Brugia malayi RNA binding protein 0.0062 0.1211 0.1308
Loa Loa (eye worm) hypothetical protein 0.0054 0.0996 0.0996
Echinococcus granulosus adam 0.0031 0.037 0.0742
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0355 0.071
Brugia malayi N-terminal motif family protein 0.0354 0.926 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0054 0.0996 0.1076
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0054 0.0996 0.2215
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1211 0.2693
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0864 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0864 0.5
Leishmania major hypothetical protein, conserved 0.0049 0.0864 0.5
Brugia malayi hypothetical protein 0.0031 0.037 0.04
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1344 0.1451
Echinococcus granulosus GPCR family 2 0.0031 0.0355 0.071
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0102 0.2321 0.5159
Schistosoma mansoni inhibitor of apoptosis protein 0.0054 0.0996 0.1417

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1000 ug ml-1 Antifungal activity against Candida albicans SC5314 after 24 hrs ChEMBL. 23644205
MIC (functional) = 1000 ug ml-1 Antifungal activity against Saccharomyces cerevisiae BY4741a after 24 hrs ChEMBL. 23644205

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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