TDR Targets

Basic information

Technical information

TDR Targets ID: 922744
Name: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benz oic acid
MW: 430.368 | Formula: C19H18N4O8
H donors: 1 H acceptors: 6 LogP: 2.95 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1nc(Oc2cccc(c2C(=O)O)Oc2nc(OC)cc(n2)OC)nc(c1)OC
InChi: 1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)
InChiKey: RYVIXQCRCQLFCM-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid
C10915
Bispyribac acid

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

Ranking Plot

Putative Targets List

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

Activities

No activities found for this compound.

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

ChEMBL: CHEMBL3306579

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 922744