Detailed information for compound 1805423

Basic information

Technical information
  • TDR Targets ID: 1805423
  • Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobe nzoic acid
  • MW: 294.235 | Formula: C13H11FN2O5
  • H donors: 1 H acceptors: 4 LogP: 2.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)F
  • InChi: 1S/C13H11FN2O5/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)
  • InChiKey: OHDXBNAFHWENIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoic acid
  • 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluorobenzoic acid
  • Peakdale1_000067

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Arabidopsis thaliana acetolactate synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) thiamine pyrophosphate enzyme Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) ILVBL protein Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase Get druggable targets OG5_126899 All targets in OG5_126899
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
Echinococcus granulosus FTZ F1 alpha 0.0057 0.1541 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0057 0.1541 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.1541 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0057 0.1541 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0057 0.1541 0.5
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0076 0.368 0.368
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0076 0.368 1
Onchocerca volvulus Bile acid receptor homolog 0.0057 0.1541 0.5
Onchocerca volvulus 0.0057 0.1541 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0057 0.1541 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0057 0.1541 0.5
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0043 0 0.5
Mycobacterium ulcerans acetolactate synthase 0.0076 0.368 0.368
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0133 1 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0043 0 0.5
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0133 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.1541 0.5
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0076 0.368 0.368
Schistosoma mansoni acetolactate synthase 0.0114 0.7851 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0057 0.1541 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0057 0.1541 0.5
Loa Loa (eye worm) ILVBL protein 0.008 0.4171 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0057 0.1541 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0076 0.368 0.5
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0043 0 0.5
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0133 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0057 0.1541 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0057 0.1541 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0057 0.1541 0.5
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0133 1 0.5
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0133 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.1541 0.5
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0133 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.1541 0.5
Mycobacterium ulcerans hypothetical protein 0.0133 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0057 0.1541 0.5
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0076 0.3694 0.8186
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0043 0 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0076 0.368 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0057 0.1541 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0057 0.1541 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0057 0.1541 0.5
Schistosoma mansoni acetolactate synthase 0.0114 0.7851 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.3 Inhibition of acetolactate synthase in 6-7 days old etiolated Pisum sativum (pea) shoot 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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