Detailed information for compound 1802811

Basic information

Technical information
  • TDR Targets ID: 1802811
  • Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methoxyb enzoic acid
  • MW: 306.271 | Formula: C14H14N2O6
  • H donors: 1 H acceptors: 4 LogP: 2.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)OC
  • InChi: 1S/C14H14N2O6/c1-19-8-5-4-6-9(12(8)13(17)18)22-14-15-10(20-2)7-11(16-14)21-3/h4-7H,1-3H3,(H,17,18)
  • InChiKey: SOHDJKLQVRKHRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methoxy-benzoic acid
  • 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-methoxybenzoic acid
  • Peakdale1_000069

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
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase Get druggable targets OG5_126899 All targets in OG5_126899
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 acetolactate synthase 1 catalytic subunit 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
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) 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
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (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
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans hypothetical protein 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 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) thiamine pyrophosphate enzyme 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 leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0133 0.8542 0.5
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0133 0.8542 0.8478
Schistosoma mansoni tyrosine kinase 0.0079 0.3405 0.3117
Brugia malayi RAS-like GTP-binding protein RhoA 0.0134 0.8696 0.8639
Echinococcus granulosus epidermal growth factor receptor 0.0148 1 1
Echinococcus granulosus transforming protein RhoA 0.0134 0.8696 0.8639
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0043 0 0.5
Loa Loa (eye worm) guanine nucleotide regulatory protein 0.0134 0.8696 0.8639
Schistosoma mansoni tyrosine kinase 0.0079 0.3405 0.3117
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0076 0.3156 0.2856
Echinococcus granulosus epidermal growth factor receptor 0.008 0.3485 0.32
Loa Loa (eye worm) hypothetical protein 0.0134 0.8696 0.8639
Echinococcus multilocularis transforming protein RhoA 0.0134 0.8696 0.8659
Schistosoma mansoni tyrosine kinase 0.0148 1 1
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0133 0.8542 1
Echinococcus multilocularis epidermal growth factor receptor 0.0148 1 1
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0076 0.3143 0.368
Trichomonas vaginalis rho3, putative 0.0134 0.8696 0.5
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0043 0 0.5
Schistosoma mansoni Rho2 GTPase 0.0134 0.8696 0.8639
Mycobacterium ulcerans hypothetical protein 0.0133 0.8542 1
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0076 0.3143 0.368
Plasmodium vivax acyl-CoA synthetase, putative 0.0076 0.3143 0.5
Echinococcus multilocularis insulin receptor 0.0047 0.042 0.0145
Loa Loa (eye worm) guanine nucleotide regulatory protein 0.0134 0.8696 0.8639
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.008 0.3485 0.32
Echinococcus multilocularis transforming protein RhoA 0.0134 0.8696 0.8659
Schistosoma mansoni tyrosine kinase 0.0079 0.3405 0.3117
Schistosoma mansoni tyrosine kinase 0.008 0.3485 0.32
Plasmodium falciparum acyl-CoA synthetase 0.0076 0.3143 0.5
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0043 0 0.5
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0133 0.8542 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0148 1 1
Schistosoma mansoni tyrosine kinase 0.008 0.3485 0.32
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0076 0.3143 1
Brugia malayi RAS-like GTP-binding protein RhoA 0.0134 0.8696 0.8639
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0043 0 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.042 0.0145
Schistosoma mansoni acetolactate synthase 0.0114 0.6706 0.6562
Echinococcus granulosus transforming protein RhoA 0.0134 0.8696 0.8639
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0133 0.8542 0.5
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0133 0.8542 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0133 0.8542 1
Entamoeba histolytica Rho family GTPase 0.0134 0.8696 0.5
Loa Loa (eye worm) ILVBL protein 0.008 0.3563 0.3281
Loa Loa (eye worm) hypothetical protein 0.0134 0.8696 0.8639
Schistosoma mansoni acetolactate synthase 0.0114 0.6706 0.6562
Mycobacterium ulcerans acetolactate synthase 0.0076 0.3143 0.368
Schistosoma mansoni gtpase_rho 0.0134 0.8696 0.8639
Onchocerca volvulus 0.0134 0.8696 0.5
Brugia malayi RAS-like GTP-binding protein RhoA 0.0134 0.8696 0.8639
Echinococcus multilocularis epidermal growth factor receptor 0.008 0.3485 0.3299

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.36 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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