Detailed information for compound 416020

Basic information

Technical information
  • TDR Targets ID: 416020
  • Name: 5-(2,6-difluorophenyl)-5-methyl-4-oxofuran-2- carboxylic acid
  • MW: 254.186 | Formula: C12H8F2O4
  • H donors: 1 H acceptors: 3 LogP: 1.88 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1=CC(=O)C(O1)(C)c1c(F)cccc1F
  • InChi: 1S/C12H8F2O4/c1-12(9(15)5-8(18-12)11(16)17)10-6(13)3-2-4-7(10)14/h2-5H,1H3,(H,16,17)
  • InChiKey: NINDTCSJSZFQTN-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(2,6-difluorophenyl)-5-methyl-4-oxo-furan-2-carboxylic acid
  • 5-(2,6-difluorophenyl)-5-methyl-4-oxo-2-furancarboxylic acid
  • 5-(2,6-difluorophenyl)-4-keto-5-methyl-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
Loa Loa (eye worm) cytochrome P450 family protein 0.0007 0.0021 0.0021
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0228 0.2417 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0186 0.0186
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0006 0.0008 0.0008
Brugia malayi Bm-MIF-1, identical 0.0228 0.2417 0.2411
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0022 0.0186 0.7832
Loa Loa (eye worm) hypothetical protein 0.013 0.1356 0.1356
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0228 0.2417 0.2417
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0365 0.3897 1
Schistosoma mansoni survival motor neuron protein 0.0027 0.0235 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0365 0.3897 1
Loa Loa (eye worm) steroid hormone receptor 0.0006 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0006 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.093 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0228 0.2417 1
Trichomonas vaginalis conserved hypothetical protein 0.0228 0.2417 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0006 0.0008 0.0008
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0022 0.0186 0.0425
Loa Loa (eye worm) CYP4Cod1 0.0007 0.0021 0.0021
Onchocerca volvulus 0.0027 0.0235 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0006 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0027 0.0235 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0022 0.0186 0.7832
Brugia malayi hypothetical protein 0.013 0.1356 0.1349
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0022 0.0186 0.1319
Loa Loa (eye worm) cytochrome P450 family protein 0.0007 0.0021 0.0021
Leishmania major malonyl-coa decarboxylase-like protein 0.0365 0.3897 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0365 0.3897 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0228 0.2417 0.6181
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Leishmania major macrophage migration inhibitory factor-like protein 0.0228 0.2417 0.6181
Echinococcus granulosus ubiquitin specific protease 41 0.0022 0.0186 0.1319
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0228 0.2417 0.5
Echinococcus multilocularis ubiquitin specific protease 41 0.0022 0.0186 0.1319
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0027 0.0235 0.0227
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0022 0.0186 0.1319
Giardia lamblia Macrophage migration inhibitory factor 0.0228 0.2417 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0097 0.1001 0.1001
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0097 0.1001 0.1001
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0022 0.0186 0.0425
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.093 1 0.5
Echinococcus granulosus survival motor neuron protein 1 0.013 0.1356 1
Echinococcus multilocularis survival motor neuron protein 1 0.013 0.1356 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0022 0.0186 0.0425
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0022 0.0186 0.1319
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0006 0.0008 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0006 0.0008 0.0008
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0007 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Brugia malayi Cytochrome P450 family protein 0.0007 0.0021 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0006 0.0008 0.0008
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0228 0.2417 1
Brugia malayi Cytochrome P450 family protein 0.0007 0.0021 0.0013
Plasmodium falciparum macrophage migration inhibitory factor 0.0228 0.2417 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0022 0.0186 0.0425
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0022 0.0186 0.0178
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0022 0.0186 0.1319
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.1 uM Activity at GPR109a in CHO cells assessed as inhibition of forskolin-induced cAMP generation ChEMBL. 17358052
EC50 (functional) = 36 uM Activity at GPR109b 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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