Detailed information for compound 234401

Basic information

Technical information
  • TDR Targets ID: 234401
  • Name: 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]ace tic acid
  • MW: 269.252 | Formula: C15H11NO4
  • H donors: 1 H acceptors: 3 LogP: 2.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cn1ccc(c1)C(=O)c1ccc2c(c1)cco2
  • InChi: 1S/C15H11NO4/c17-14(18)9-16-5-3-12(8-16)15(19)11-1-2-13-10(7-11)4-6-20-13/h1-8H,9H2,(H,17,18)
  • InChiKey: MOPGZJFAPUOHSG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[3-(benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid
  • 2-[3-[5-benzofuranyl(oxo)methyl]-1-pyrrolyl]acetic acid
  • 2-[3-(1-benzofuran-5-ylcarbonyl)pyrrol-1-yl]ethanoic acid
  • 2-[3-(5-benzofuranyl-oxomethyl)-1-pyrrolyl]acetic acid

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
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0181 0.8919 0.5
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0181 0.8919 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0181 0.8919 0.5
Echinococcus granulosus laminin 0.0188 1 1
Onchocerca volvulus 0.0161 0.5425 0.5425
Brugia malayi Trypsin family protein 0.0161 0.5425 0.5425
Toxoplasma gondii calcium binding egf domain-containing protein 0.0188 1 1
Echinococcus multilocularis Tolloid protein 1 0.0188 1 1
Schistosoma mansoni egf-like domain protein 0.0188 1 1
Echinococcus granulosus Tolloid protein 1 0.0188 1 1
Loa Loa (eye worm) hypothetical protein 0.0188 1 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0188 1 1
Mycobacterium ulcerans thymidylate synthase 0.0129 0 0.5
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0188 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0161 0.5425 0.5425
Echinococcus multilocularis fibrillin 1 0.0188 1 1
Brugia malayi Fibulin-1 precursor 0.0188 1 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0129 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 1 1
Loa Loa (eye worm) hypothetical protein 0.0188 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0129 0 0.5
Onchocerca volvulus Arrow homolog 0.0188 1 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.5425 0.5425
Loa Loa (eye worm) hypothetical protein 0.0161 0.5425 0.5425
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0181 0.8919 0.5
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0188 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0161 0.5425 0.5425
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0181 0.8919 0.5
Echinococcus multilocularis laminin 0.0188 1 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0188 1 1
Loa Loa (eye worm) hypothetical protein 0.0188 1 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0188 1 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0188 1 1
Loa Loa (eye worm) hypothetical protein 0.0188 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 40 % In vitro inhibitory activity against aldose reductase of rat lens at 10E-6 M concentration ChEMBL. 12540241
Inhibition (binding) = 40 % In vitro inhibitory activity against aldose reductase of rat lens at 10E-6 M concentration ChEMBL. 12540241

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.