Detailed information for compound 283515

Basic information

Technical information
  • TDR Targets ID: 283515
  • Name: 1-benzyl-2H-tetrazole-5-thione
  • MW: 192.241 | Formula: C8H8N4S
  • H donors: 0 H acceptors: 3 LogP: 1.64 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Sc1nnnn1Cc1ccccc1
  • InChi: 1S/C8H8N4S/c13-8-9-10-11-12(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11,13)
  • InChiKey: KPUKRKAPMFWIBV-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(phenylmethyl)-2H-1,2,3,4-tetrazole-5-thione
  • 1-(phenylmethyl)-2H-tetrazole-5-thione
  • 1-(benzyl)-2H-tetrazole-5-thione
  • 33898-72-5
  • ST5334193
  • ZINC00097074
  • Maybridge1_007152

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Dopamine beta-hydroxylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni dopamine-beta-monooxygenase Get druggable targets OG5_129281 All targets in OG5_129281
Schistosoma japonicum ko:K00503 dopamine beta-monooxygenase [EC1.14.17.1], putative Get druggable targets OG5_129281 All targets in OG5_129281

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 peptidyl-glycine monooxygenase 0.0149 0.1327 0.4533
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0149 0.1327 0.1327
Entamoeba histolytica hypothetical protein 0.0039 0 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0076 0.0445 0.3351
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0149 0.1327 1
Schistosoma mansoni dopamine-beta-monooxygenase 0.0283 0.2927 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0149 0.1327 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.1327 0.5
Entamoeba histolytica hypothetical protein 0.0039 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.1327 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0074 0.0418 0.315
Entamoeba histolytica hypothetical protein 0.0039 0 0.5
Schistosoma mansoni peptidylglycine monooxygenase 0.0149 0.1327 0.4533
Entamoeba histolytica hypothetical protein 0.0039 0 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0149 0.1327 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16 uM Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH) ChEMBL. 2299645
IC50 (binding) = 16 uM Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH) ChEMBL. 2299645

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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