Detailed information for compound 1753003

Basic information

Technical information
  • TDR Targets ID: 1753003
  • Name: 2-(thiophen-2-ylmethyl)thiophene-3-carboxylic acid
  • MW: 224.299 | Formula: C10H8O2S2
  • H donors: 1 H acceptors: 2 LogP: 2.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccsc1Cc1cccs1
  • InChi: 1S/C10H8O2S2/c11-10(12)8-3-5-14-9(8)6-7-2-1-4-13-7/h1-5H,6H2,(H,11,12)
  • InChiKey: QPKATRSLASRXRU-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(2-thienylmethyl)thiophene-3-carboxylic acid
  • 2-(2-Thienylmethyl)-3-thiophenecarboxylic acid
  • 2-(2-thienylmethyl)-3-thenoic acid
  • 31936-90-0
  • AIDS-127193
  • AIDS127193
  • NSC149700
  • NSC 149700

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) carboxylesterase 0.0123 0.1588 0.1588
Trichomonas vaginalis spcc417.12 protein, putative 0.0123 0.1588 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0728 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0123 0.1588 0.1588
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0123 0.1588 0.1588
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0123 0.1588 0.1588
Loa Loa (eye worm) acetylcholinesterase 1 0.0728 1 1
Loa Loa (eye worm) hypothetical protein 0.0728 1 1
Brugia malayi Carboxylesterase family protein 0.0123 0.1588 0.1588
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0123 0.1588 0.1588
Loa Loa (eye worm) hypothetical protein 0.0123 0.1588 0.1588
Echinococcus multilocularis para nitrobenzyl esterase 0.0123 0.1588 0.1588
Mycobacterium ulcerans short chain dehydrogenase 0.03 0.4057 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0123 0.1588 0.5
Brugia malayi MH2 domain containing protein 0.0129 0.1669 0.1669
Onchocerca volvulus 0.0123 0.1588 0.5
Schistosoma mansoni gliotactin 0.0123 0.1588 0.1588
Onchocerca volvulus 0.0123 0.1588 0.5
Echinococcus multilocularis acetylcholinesterase 0.0728 1 1
Brugia malayi Carboxylesterase family protein 0.0123 0.1588 0.1588
Echinococcus multilocularis carboxylesterase 5A 0.0728 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.1669 0.1669
Loa Loa (eye worm) carboxylesterase 0.0728 1 1
Brugia malayi Carboxylesterase family protein 0.0123 0.1588 0.1588
Loa Loa (eye worm) hypothetical protein 0.0728 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.1588 0.1588
Schistosoma mansoni neuroligin 3 (S09 family) 0.0123 0.1588 0.1588
Echinococcus multilocularis neuroligin 0.0123 0.1588 0.1588
Brugia malayi Carboxylesterase family protein 0.0728 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.1669 0.1669
Loa Loa (eye worm) hypothetical protein 0.0123 0.1588 0.1588
Mycobacterium tuberculosis Probable oxidoreductase 0.03 0.4057 1
Echinococcus multilocularis acetylcholinesterase 0.0728 1 1
Echinococcus granulosus acetylcholinesterase 0.0728 1 1
Onchocerca volvulus 0.0123 0.1588 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.1588 0.1588
Echinococcus granulosus carboxylesterase 5A 0.0728 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0123 0.1588 0.1588
Echinococcus granulosus para nitrobenzyl esterase 0.0123 0.1588 0.1588
Loa Loa (eye worm) hypothetical protein 0.0123 0.1588 0.1588
Loa Loa (eye worm) hypothetical protein 0.0123 0.1588 0.1588
Brugia malayi Carboxylesterase family protein 0.0123 0.1588 0.1588
Onchocerca volvulus 0.0123 0.1588 0.5
Schistosoma mansoni acetylcholinesterase 0.0123 0.1588 0.1588
Loa Loa (eye worm) hypothetical protein 0.0123 0.1588 0.1588
Echinococcus granulosus acetylcholinesterase 0.0728 1 1
Loa Loa (eye worm) carboxylesterase 0.0123 0.1588 0.1588
Schistosoma mansoni BC026374 protein (S09 family) 0.0123 0.1588 0.1588
Brugia malayi hypothetical protein 0.0123 0.1588 0.1588
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0123 0.1588 0.1588
Onchocerca volvulus 0.0123 0.1588 0.5
Echinococcus granulosus neuroligin 0.0123 0.1588 0.1588
Echinococcus multilocularis BC026374 protein (S09 family) 0.0123 0.1588 0.1588

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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