Detailed information for compound 1166137

Basic information

Technical information
  • TDR Targets ID: 1166137
  • Name: 5-(2,3-dihydro-1,3-benzothiazol-2-yl)-3-ethyl -2-methyl-1-phenylbenzimidazol-3-ium
  • MW: 372.506 | Formula: C23H22N3S+
  • H donors: 1 H acceptors: 0 LogP: 5.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[n+]1c(C)n(c2c1cc(cc2)C1Nc2c(S1)cccc2)c1ccccc1
  • InChi: 1S/C23H22N3S/c1-3-25-16(2)26(18-9-5-4-6-10-18)20-14-13-17(15-21(20)25)23-24-19-11-7-8-12-22(19)27-23/h4-15,23-24H,3H2,1-2H3/q+1
  • InChiKey: APLMMTJFHJNRJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(2,3-dihydro-1,3-benzothiazol-2-yl)-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium
  • BAS 00482203

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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0923 0.0382
Brugia malayi hypothetical protein 0.0025 0.0418 0.0852
Brugia malayi TAR-binding protein 0.0123 0.4906 1
Trichomonas vaginalis esterase, putative 0.0036 0.0923 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.4906 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4906 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0765 0.1559
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0923 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1471 0.2999
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0923 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.0923 0.1882
Toxoplasma gondii ABC1 family protein 0.0036 0.0923 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0923 0.1126
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0923 0.5
Brugia malayi MH2 domain containing protein 0.0115 0.4573 0.9322
Mycobacterium ulcerans lipase LipD 0.0036 0.0923 0.5
Loa Loa (eye worm) TAR-binding protein 0.0123 0.4906 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0923 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0418 0.5
Leishmania major hypothetical protein, conserved 0.0036 0.0923 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0923 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0923 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0923 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.4906 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0923 0.1882
Loa Loa (eye worm) hypothetical protein 0.0036 0.0923 0.1126
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0923 0.1126
Loa Loa (eye worm) hypothetical protein 0.0048 0.1471 0.2347
Brugia malayi RNA binding protein 0.0123 0.4906 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1471 0.2999
Loa Loa (eye worm) hypothetical protein 0.0036 0.0923 0.1126
Loa Loa (eye worm) hypothetical protein 0.0036 0.0923 0.1126
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1471 0.2347
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0923 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0418 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0923 0.1126
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4906 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0923 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0923 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.4573 0.9258
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4906 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0765 0.0773
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.4573 0.9258
Brugia malayi beta-lactamase 0.0036 0.0923 0.1882
Loa Loa (eye worm) hypothetical protein 0.0036 0.0923 0.1126
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0923 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0923 1
Loa Loa (eye worm) RNA binding protein 0.0123 0.4906 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0923 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4906 1
Echinococcus multilocularis tar DNA binding protein 0.0123 0.4906 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0923 0.0382
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0923 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0923 1
Onchocerca volvulus 0.0036 0.0923 0.5
Echinococcus granulosus tar DNA binding protein 0.0123 0.4906 1
Onchocerca volvulus 0.0036 0.0923 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.0923 0.1882
Onchocerca volvulus 0.0036 0.0923 0.5
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4906 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0923 0.1126

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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