Detailed information for compound 1802812

Basic information

Technical information
  • TDR Targets ID: 1802812
  • Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethoxybe nzoic acid
  • MW: 320.297 | Formula: C15H16N2O6
  • H donors: 1 H acceptors: 4 LogP: 2.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1C(=O)O)Oc1nc(OC)cc(n1)OC
  • InChi: 1S/C15H16N2O6/c1-4-22-9-6-5-7-10(13(9)14(18)19)23-15-16-11(20-2)8-12(17-15)21-3/h5-8H,4H2,1-3H3,(H,18,19)
  • InChiKey: WAINREHATCVFJU-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethoxy-benzoic acid
  • 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-ethoxybenzoic acid

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
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 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
Mycobacterium ulcerans hypothetical 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 mansoni 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
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 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 japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative 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
Schistosoma mansoni acetolactate synthase 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 acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 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
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase 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
Mycobacterium ulcerans hypothetical protein 0.0133 0.3236 1
Schistosoma mansoni tyrosine kinase 0.0157 0.4254 0.32
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0076 0.0817 0.5
Schistosoma mansoni tyrosine kinase 0.0157 0.4254 0.32
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0133 0.3236 0.1996
Echinococcus multilocularis epidermal growth factor receptor 0.0157 0.4254 0.3299
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0133 0.3236 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0076 0.0817 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0292 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0076 0.0817 0.5
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0133 0.3236 1
Schistosoma mansoni tyrosine kinase 0.0155 0.4183 0.3117
Echinococcus granulosus epidermal growth factor receptor 0.0157 0.4254 0.32
Schistosoma mansoni acetolactate synthase 0.0114 0.2414 0.1023
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0093 0.1549 0.0145
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0133 0.3236 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0093 0.1549 0.0792
Echinococcus granulosus epidermal growth factor receptor 0.0292 1 1
Schistosoma mansoni acetolactate synthase 0.0114 0.2414 0.1023
Schistosoma mansoni tyrosine kinase 0.0155 0.4183 0.3117
Schistosoma mansoni tyrosine kinase 0.0292 1 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0292 1 1
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0133 0.3236 0.5
Schistosoma mansoni tyrosine kinase 0.0155 0.4183 0.3117
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0157 0.4254 0.32
Loa Loa (eye worm) ILVBL protein 0.008 0.1005 0.0199
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0133 0.3236 0.5
Echinococcus multilocularis insulin receptor 0.0093 0.1549 0.0145
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0133 0.3236 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.65 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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