Detailed information for compound 60182

Basic information

Technical information
  • TDR Targets ID: 60182
  • Name: 6-(imidazol-1-ylmethyl)-1-benzothiophene-3-ca rboxylic acid
  • MW: 258.296 | Formula: C13H10N2O2S
  • H donors: 1 H acceptors: 3 LogP: 2.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1csc2c1ccc(c2)Cn1cncc1
  • InChi: 1S/C13H10N2O2S/c16-13(17)11-7-18-12-5-9(1-2-10(11)12)6-15-4-3-14-8-15/h1-5,7-8H,6H2,(H,16,17)
  • InChiKey: DNKFALGCDQLDHA-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-(imidazol-1-ylmethyl)benzothiophene-3-carboxylic acid
  • 6-(1-imidazolylmethyl)-3-benzothiophenecarboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thromboxane A synthase 1 (platelet) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei cytochrome P450, putative thromboxane A synthase 1 (platelet) 534 aa 498 aa 21.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus solute carrier family 13 0.0102 0.0091 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0091 1
Trichomonas vaginalis Inorganic phosphate transporter, putative 0.0102 0.0091 1
Leishmania major malonyl-coa decarboxylase-like protein 0.197 0.386 1
Echinococcus multilocularis solute carrier family 13 0.0102 0.0091 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0091 1
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.197 0.386 0.5
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.197 0.386 1
Trichomonas vaginalis Inorganic phosphate transporter, putative 0.0102 0.0091 1
Trichomonas vaginalis sodium-dependent high-affinity dicarboxylate transporter, putative 0.0102 0.0091 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.197 0.386 1
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0091 1
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0091 1
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0091 1
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0091 1
Echinococcus granulosus solute carrier family 13 0.0102 0.0091 0.5
Loa Loa (eye worm) hypothetical protein 0.5014 1 1
Schistosoma mansoni sodium/dicarboxylate cotransporter-related 0.0102 0.0091 1
Echinococcus multilocularis solute carrier family 13 0.0102 0.0091 0.5
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.5014 1 0.5
Echinococcus granulosus solute carrier family 13 0.0102 0.0091 0.5
Echinococcus multilocularis solute carrier family 13 0.0102 0.0091 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.000000019 M In vitro inhibition of thromboxane synthase from human platelets. ChEMBL. 3746813
IC50 (binding) = 0.000000019 M In vitro inhibition of thromboxane synthase from human platelets. ChEMBL. 3746813

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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