Detailed information for compound 1443659

Basic information

Technical information
  • TDR Targets ID: 1443659
  • Name: 5-[(2-methylphenyl)sulfonylmethyl]furan-2-car boxylic acid
  • MW: 280.296 | Formula: C13H12O5S
  • H donors: 1 H acceptors: 4 LogP: 1.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)O
  • InChi: 1S/C13H12O5S/c1-9-4-2-3-5-12(9)19(16,17)8-10-6-7-11(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
  • InChiKey: KOUQLYYRYBEHLJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-[(2-methylphenyl)sulfonylmethyl]-2-furancarboxylic acid
  • 5-[(2-methylphenyl)sulfonylmethyl]-2-furoic acid
  • MLS000521989
  • SMR000132397

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 hypothetical protein, conserved 0.0214 0.0368 0.5
Onchocerca volvulus Putative fad oxidoreductase 0.0214 0.0368 0.5
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0214 0.0368 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0214 0.0368 0.5
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0214 0.0368 0.5
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0214 0.0368 0.5
Toxoplasma gondii hypothetical protein 0.0214 0.0368 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0214 0.0368 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.2563 1 1
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0214 0.0368 0.5
Schistosoma mansoni fad oxidoreductase 0.0214 0.0368 0.0368
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0214 0.0368 0.5
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0214 0.0368 0.5
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0214 0.0368 0.5
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0214 0.0368 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0214 0.0368 0.5
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0214 0.0368 0.5
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0214 0.0368 0.5
Brugia malayi cDNA sequence BC016226 0.0214 0.0368 0.5
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0214 0.0368 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0214 0.0368 0.5
Leishmania major hypothetical protein, conserved 0.0214 0.0368 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0214 0.0368 0.5
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.2563 1 1
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0214 0.0368 0.0368
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.2349 0.9124 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0214 0.0368 0.5
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0214 0.0368 0.5
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0214 0.0368 0.5
Schistosoma mansoni d-amino acid oxidase 0.2563 1 1
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0214 0.0368 1
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0214 0.0368 0.5
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0214 0.0368 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0214 0.0368 0.5
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0214 0.0368 0.5
Brugia malayi RE18450p 0.0214 0.0368 0.5
Schistosoma mansoni fad oxidoreductase 0.0214 0.0368 0.0368
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0214 0.0368 0.5
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0214 0.0368 0.5
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0214 0.0368 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0214 0.0368 0.5
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0214 0.0368 0.0368
Schistosoma mansoni NAD dehydrogenase 0.0214 0.0368 0.0368

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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