Detailed information for compound 416825

Basic information

Technical information
  • TDR Targets ID: 416825
  • Name: 5-methyl-4-oxo-5-thiophen-2-ylfuran-2-carboxy lic acid
  • MW: 224.233 | Formula: C10H8O4S
  • H donors: 1 H acceptors: 3 LogP: 1.39 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1=CC(=O)C(O1)(C)c1cccs1
  • InChi: 1S/C10H8O4S/c1-10(8-3-2-4-15-8)7(11)5-6(14-10)9(12)13/h2-5H,1H3,(H,12,13)
  • InChiKey: SZAVHIWMBRHRGF-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-methyl-4-oxo-5-(2-thienyl)furan-2-carboxylic acid
  • 5-methyl-4-oxo-5-(2-thienyl)-2-furancarboxylic acid
  • 5-methyl-4-oxo-5-thiophen-2-yl-furan-2-carboxylic acid
  • 4-keto-5-methyl-5-(2-thienyl)-2-furoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxycarboxylic acid receptor 2 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
Echinococcus multilocularis G-protein coupled receptor, putative hydroxycarboxylic acid receptor 2 363 aa 294 aa 20.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major mitochondrial DNA polymerase beta 0.0896 0.5917 0.5917
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1465 1 1
Brugia malayi DNA polymerase alpha catalytic subunit 0.0132 0.0436 0.5
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0223 0.1091 0.5
Entamoeba histolytica hypothetical protein, conserved 0.1465 1 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.1465 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1465 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0424 0.2533 0.2533
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.1465 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.1465 1 1
Schistosoma mansoni hypothetical protein 0.1465 1 1
Mycobacterium ulcerans hypothetical protein 0.0472 0.2876 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0154 0.0593 0.0593
Toxoplasma gondii hypothetical protein 0.0144 0.0528 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0126 0.0396 0.0396
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0896 0.5917 0.5917
Giardia lamblia Rrm3p helicase 0.1465 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0896 0.5917 0.5917
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0126 0.0396 0.0396
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1465 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0424 0.2533 0.2533
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0126 0.0396 0.0396
Loa Loa (eye worm) hypothetical protein 0.0223 0.1091 0.5
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.1465 1 1
Plasmodium vivax DNA polymerase alpha, putative 0.0132 0.0436 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0126 0.0396 0.0396
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1465 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0472 0.2876 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0424 0.2533 0.2533
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.1465 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0896 0.5917 0.5917
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1465 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation ChEMBL. 17358052
EC50 (functional) 0 Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation ChEMBL. 17358052
EC50 (functional) = 5 uM Activity at GPR109a in CHO cells assessed as inhibition of forskolin-induced cAMP generation ChEMBL. 17358052

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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