TDR Targets

Basic information

Technical information

TDR Targets ID: 44567
Name: 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-tr iazine-2,4-diamine
MW: 277.322 | Formula: C13H19N5O2
H donors: 2 H acceptors: 0 LogP: 0.31 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)N1C(=NC(=NC1(C)C)N)N
InChi: 1S/C13H19N5O2/c1-13(2)17-11(14)16-12(15)18(13)8-5-6-9(19-3)10(7-8)20-4/h5-7H,1-4H3,(H4,14,15,16,17)
InChiKey: VQRSVBFYTHVYJT-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

[4-amino-1-(3,4-dimethoxyphenyl)-6,6-dimethyl-s-triazin-2-yl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Gallus gallus	Dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410
Loa Loa (eye worm)	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	154 aa	33.8 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	189 aa	180 aa	34.4 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	189 aa	189 aa	31.7 %
Echinococcus multilocularis	EF hand calcium binding domain containing protein	Dihydrofolate reductase	189 aa	155 aa	22.6 %
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	209 aa	28.7 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	185 aa	35.7 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	209 aa	28.2 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	33.7 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	194 aa	31.4 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	33.1 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	201 aa	29.4 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	212 aa	29.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0449	0.5182	0.5182
Brugia malayi	Receptor family ligand binding region containing protein	0.0042	0.0084	0.018
Giardia lamblia	DNA repair protein RAD52	0.0346	0.3901	0.5
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0042	0.0084	0.018
Echinococcus multilocularis	tyrosine kinase	0.0042	0.0084	0.0084
Echinococcus multilocularis	glutamate receptor 2	0.0298	0.3296	0.3296
Brugia malayi	Dihydrofolate reductase	0.0208	0.2162	0.4641
Schistosoma mansoni	glutamate receptor NMDA	0.0833	1	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0079	0.0554	1
Schistosoma mansoni	hypothetical protein	0.0151	0.1446	0.1446
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.2517	0.5
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0042	0.0084	0.018
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0449	0.5182	0.5182
Echinococcus multilocularis	glutamate receptor NMDA	0.0258	0.2789	0.2789
Echinococcus granulosus	dihydrofolate reductase	0.0208	0.2162	0.2162
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0752	0.0752
Schistosoma mansoni	tyrosine kinase	0.0042	0.0084	0.0084
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0042	0.0084	0.0084
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0449	0.5182	0.5182
Schistosoma mansoni	glutamate receptor kainate	0.0407	0.4658	0.4658
Echinococcus granulosus	glutamate receptor 2	0.0298	0.3296	0.3296
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.2158	0.4634
Schistosoma mansoni	protein kinase	0.0042	0.0084	0.0084
Brugia malayi	Glutamate receptor 1 precursor	0.0407	0.4658	1
Loa Loa (eye worm)	glutamate receptor 1	0.0407	0.4658	1
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0099	0.0795	0.1862
Schistosoma mansoni	glutamate receptor AMPA	0.0407	0.4658	0.4658
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0346	0.3901	1
Schistosoma mansoni	tyrosine kinase	0.0042	0.0084	0.0084
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0507	0.0507
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0079	0.0554	0.5
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.0186	0.2168
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0042	0.0084	0.0084
Brugia malayi	Pre-SET motif family protein	0.0207	0.2158	0.4634
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0042	0.0084	0.018
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0208	0.2162	0.5
Brugia malayi	Receptor family ligand binding region containing protein	0.0042	0.0084	0.018
Schistosoma mansoni	glutamate receptor NMDA	0.0706	0.8413	0.8413
Leishmania major	cathepsin L-like protease	0.0064	0.0356	0.5792
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0042	0.0084	0.018
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0151	0.1446	0.1446
Brugia malayi	hypothetical protein	0.0042	0.0084	0.018
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0042	0.0084	0.0084
Schistosoma mansoni	ATP-binding cassette transporter	0.0407	0.4658	0.4658
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0449	0.5182	0.5182
Echinococcus granulosus	glutamate receptor 2	0.0449	0.5182	0.5182
Loa Loa (eye worm)	glutamate receptor	0.0042	0.0084	0.018
Brugia malayi	Guanylyl cyclase protein 23	0.0042	0.0084	0.018
Schistosoma mansoni	glutamate receptor kainate	0.0407	0.4658	0.4658
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0311	0.0668
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0449	0.5182	0.5182
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Chlamydia trachomatis	dihydrofolate reductase	0.0208	0.2162	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0151	0.1446	0.1446
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0042	0.0084	0.018
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0356	0.5792
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0449	0.5182	0.5182
Echinococcus granulosus	nmda type glutamate receptor	0.0299	0.3314	0.3314
Leishmania major	cathepsin L-like protease	0.0064	0.0356	0.5792
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Echinococcus granulosus	tyrosine kinase	0.0042	0.0084	0.0084
Schistosoma mansoni	glutamate receptor kainate	0.0407	0.4658	0.4658
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0449	0.5182	0.5182
Schistosoma mansoni	metabotropic glutamate receptor	0.0042	0.0084	0.0084
Echinococcus granulosus	glutamate receptor NMDA	0.0258	0.2789	0.2789
Echinococcus multilocularis	NMDA receptor	0.0151	0.1446	0.1446
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0833	1	1
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0151	0.1446	0.1446
Echinococcus granulosus	nmda type glutamate receptor	0.0408	0.4676	0.4676
Echinococcus multilocularis	dihydrofolate reductase	0.0208	0.2162	0.2162
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0151	0.1446	0.1446
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0752	0.0752
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0042	0.0084	0.018
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Entamoeba histolytica	hypothetical protein	0.0099	0.0795	0.1862
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0042	0.0084	0.0084
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0079	0.0554	1
Schistosoma mansoni	dihydrofolate reductase	0.0208	0.2162	0.2162
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.0287	0.4323
Onchocerca volvulus		0.0236	0.2517	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0042	0.0084	0.0084
Echinococcus multilocularis	nmda type glutamate receptor	0.0299	0.3314	0.3314
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0356	0.5792
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0151	0.1446	0.1446
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0042	0.0084	0.0084
Brugia malayi	metabotropic glutamate receptor type 2	0.0042	0.0084	0.018
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0151	0.1446	0.1446
Echinococcus multilocularis	nmda type glutamate receptor	0.0408	0.4676	0.4676
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0042	0.0084	0.0084
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0356	0.5792
Leishmania major	cathepsin L-like protease	0.0064	0.0356	0.5792
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0079	0.0554	0.5
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0042	0.0084	0.018
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0151	0.1446	0.1446
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0066	0.0066
Brugia malayi	jmjC domain containing protein	0.0095	0.0752	0.1614
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0042	0.0084	0.018
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0208	0.2162	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0084	0.018
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0079	0.0554	1
Echinococcus multilocularis	glutamate receptor 2	0.0407	0.4658	0.4658
Brugia malayi	Glutamate receptor 2 precursor	0.0407	0.4658	1
Loa Loa (eye worm)	glutamate receptor 2	0.0407	0.4658	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0079	0.0554	0.5
Echinococcus multilocularis	glutamate receptor 2	0.0449	0.5182	0.5182
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.0356	0.5792
Loa Loa (eye worm)	hypothetical protein	0.005	0.0183	0.0394
Brugia malayi	dihydrofolate reductase family protein	0.0208	0.2162	0.4641
Schistosoma mansoni	metabotropic glutamate receptor	0.0042	0.0084	0.0084
Schistosoma mansoni	glutamate receptor AMPA	0.0407	0.4658	0.4658
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0449	0.5182	0.5182
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0151	0.1446	0.1446
Echinococcus granulosus	receptor type guanylyl cyclase	0.0042	0.0084	0.0084
Loa Loa (eye worm)	dihydrofolate reductase	0.0208	0.2162	0.4641
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0208	0.2162	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 6.01	Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)	ChEMBL.	6420569
Log 1/Ki (binding)	= 6.01	Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)	ChEMBL.	6420569

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

PubChem: 3563970

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 44567