TDR Targets

Basic information

Technical information

TDR Targets ID: 344233
Name: 5-bromo-3-ethoxy-N-(6-methylpyridin-2-yl)pyri din-2-amine
MW: 308.174 | Formula: C13H14BrN3O
H donors: 1 H acceptors: 2 LogP: 3.42 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(Br)cnc1Nc1cccc(n1)C
InChi: 1S/C13H14BrN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)
InChiKey: JJRWFNDSSULAFZ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

5-bromo-3-ethoxy-N-(6-methyl-2-pyridyl)pyridin-2-amine
5-bromo-3-ethoxy-N-(6-methyl-2-pyridyl)-2-pyridinamine
(5-bromo-3-ethoxy-2-pyridyl)-(6-methyl-2-pyridyl)amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutamate receptor, metabotropic 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	Get druggable targets OG5_127095	All targets in OG5_127095
Loa Loa (eye worm)	glutamate receptor	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	ko:K04606 glutamate receptor, metabotropic 3, putative	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus multilocularis	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma mansoni	metabotropic glutamate receptor	Get druggable targets OG5_127095	All targets in OG5_127095
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	Metabotropic glutamate receptor precursor, putative	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus multilocularis	metabotropic glutamate receptor 2	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus granulosus	metabotropic glutamate receptor 2	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus granulosus	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Brugia malayi	Metabotropic glutamate receptor precursor.	Get druggable targets OG5_127095	All targets in OG5_127095
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	Get druggable targets OG5_127095	All targets in OG5_127095

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
Echinococcus granulosus	tubulin alpha 1C chain	0.0057	0.9284	0.9002
Schistosoma mansoni	alpha tubulin	0.0057	0.9284	1
Loa Loa (eye worm)	tubulin beta chain	0.0031	0.2828	0.2828
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.9284	1
Brugia malayi	beta-tubulin, identical	0.0031	0.2828	0.209
Echinococcus granulosus	peroxisome assembly protein 26	0.0057	0.9284	0.9002
Echinococcus granulosus	tubulin alpha chain	0.0057	0.9284	0.9002
Echinococcus multilocularis	tubulin subunit TubB	0.0057	0.9284	0.9002
Brugia malayi	Tubulin alpha-2 chain	0.0057	0.9284	1
Loa Loa (eye worm)	tubulin alpha 2	0.0044	0.6017	0.6017
Leishmania major	alpha tubulin	0.0057	0.9284	1
Brugia malayi	Tubulin beta-1 chain	0.0031	0.2828	0.209
Trypanosoma cruzi	alpha tubulin, putative	0.0057	0.9284	1
Trypanosoma brucei	alpha tubulin	0.0057	0.9284	1
Brugia malayi	Tubulin alpha-2 chain	0.0057	0.9284	1
Leishmania major	alpha tubulin	0.0057	0.9284	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.9284	1
Echinococcus granulosus	tubulin alpha chain	0.0057	0.9284	0.9002
Entamoeba histolytica	tubulin alpha chain, putative	0.0057	0.9284	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0057	0.9284	0.9002
Echinococcus granulosus	alpha tubulin	0.0057	0.9284	0.9002
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.9284	1
Loa Loa (eye worm)	tubulin alpha chain	0.0057	0.9284	0.9284
Echinococcus multilocularis	peroxisome assembly protein 26	0.0057	0.9284	0.9002
Schistosoma mansoni	tubulin subunit beta	0.0031	0.2828	0.209
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.9284	1
Schistosoma mansoni	alpha tubulin	0.0057	0.9284	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0057	0.9284	0.9002
Leishmania major	alpha tubulin	0.0057	0.9284	1
Brugia malayi	alpha-tubulin	0.0057	0.9284	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0057	0.9284	1
Leishmania major	alpha tubulin	0.0057	0.9284	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.9284	1
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.9284	0.9002
Schistosoma mansoni	tubulin subunit epsilon	0.0031	0.2828	0.209
Loa Loa (eye worm)	alpha-tubulin	0.0057	0.9284	0.9284
Loa Loa (eye worm)	tubulin alpha 2	0.0026	0.176	0.176
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0041	0.5304	0.3452
Loa Loa (eye worm)	hypothetical protein	0.0057	0.9284	0.9284
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0044	0.6017	0.494
Trypanosoma brucei	alpha tubulin	0.0057	0.9284	1
Schistosoma mansoni	tubulin subunit beta	0.0031	0.2828	0.209
Loa Loa (eye worm)	hypothetical protein	0.004	0.5027	0.5027
Echinococcus granulosus	Tubulin alpha 1 chain	0.0057	0.9284	0.9002
Echinococcus granulosus	tubulin alpha chain	0.0057	0.9284	0.9002
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0044	0.6119	0.6122
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.9284	0.9002
Plasmodium vivax	tubulin alpha chain, putative	0.0057	0.9284	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0057	0.9284	0.9002
Leishmania major	alpha tubulin	0.0057	0.9284	1
Echinococcus granulosus	tubulin alpha chain	0.0057	0.9284	0.9002
Schistosoma mansoni	tubulin subunit beta	0.0031	0.2828	0.209
Echinococcus granulosus	tubulin alpha 3 chain	0.0057	0.9284	0.9002
Toxoplasma gondii	alpha-tubulin I, putative	0.0057	0.9284	1
Giardia lamblia	Alpha-tubulin	0.0057	0.9284	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0057	0.9284	0.9002
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0057	0.9284	1
Echinococcus granulosus	tubulin alpha chain	0.0057	0.9284	0.9002
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	1	1
Brugia malayi	tubulin alpha chain - mouse	0.0057	0.9284	1
Giardia lamblia	Alpha-tubulin	0.0057	0.9284	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0057	0.9284	0.9002
Brugia malayi	Tubulin alpha chain	0.0057	0.9284	1
Brugia malayi	tubulin alpha-2 chain	0.0057	0.9284	1
Loa Loa (eye worm)	tubulin alpha 2	0.0044	0.6017	0.6017
Plasmodium falciparum	alpha tubulin 2	0.0057	0.9284	1
Leishmania major	alpha tubulin	0.0057	0.9284	1
Loa Loa (eye worm)	tubulin alpha chain	0.0057	0.9284	0.9284
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.9284	1
Brugia malayi	Tubulin gamma chain	0.0031	0.2828	0.209
Schistosoma mansoni	tubulin subunit beta	0.0031	0.2828	0.209
Schistosoma mansoni	tubulin subunit alpha	0.0057	0.9284	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0044	0.6017	0.6017
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.9284	0.9002
Loa Loa (eye worm)	tubulin beta-4 chain	0.0031	0.2828	0.2828
Loa Loa (eye worm)	hypothetical protein	0.006	1	1
Schistosoma mansoni	tubulin subunit beta	0.0031	0.2828	0.209
Loa Loa (eye worm)	tubulin gamma chain	0.0031	0.2828	0.2828
Schistosoma mansoni	tubulin subunit alpha	0.0057	0.9284	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0057	0.9284	0.9002
Leishmania major	alpha tubulin	0.0057	0.9284	1
Leishmania major	alpha tubulin	0.0057	0.9284	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0057	0.9284	0.9002
Loa Loa (eye worm)	BEN-1 protein	0.0031	0.2828	0.2828
Schistosoma mansoni	tubulin subunit gamma	0.0031	0.2828	0.209
Echinococcus multilocularis	tubulin alpha 3 chain	0.0057	0.9284	0.9002
Schistosoma mansoni	tubulin subunit beta	0.0031	0.2828	0.209
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0057	0.9284	0.9002
Plasmodium vivax	tubulin alpha chain, putative	0.0057	0.9284	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0057	0.9284	0.9002
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.004	0.5027	0.3406
Loa Loa (eye worm)	tubulin beta-1 chain	0.0031	0.2828	0.2828
Leishmania major	alpha tubulin	0.0057	0.9284	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.8878	0.9502
Loa Loa (eye worm)	hypothetical protein	0.0044	0.6017	0.6017
Echinococcus granulosus	tubulin subunit TubB	0.0057	0.9284	0.9002
Loa Loa (eye worm)	tubulin beta-2A chain	0.0031	0.2828	0.2828
Echinococcus multilocularis	hypothetical protein	0.0057	0.9284	0.9002
Loa Loa (eye worm)	BEN-1 protein	0.0031	0.2828	0.2828
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.9284	0.9002
Plasmodium falciparum	alpha tubulin 1	0.0057	0.9284	1
Leishmania major	alpha tubulin	0.0057	0.9284	1
Leishmania major	alpha tubulin	0.0057	0.9284	1
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0041	0.5304	0.3452
Schistosoma mansoni	alpha tubulin	0.0057	0.9284	1
Schistosoma mansoni	tubulin subunit alpha	0.0057	0.9284	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0057	0.9284	0.9284
Trypanosoma brucei	alpha tubulin	0.0057	0.9284	1
Leishmania major	alpha tubulin	0.0057	0.9284	1
Loa Loa (eye worm)	glutamate receptor	0.0049	0.7241	0.7241
Loa Loa (eye worm)	tubulin alpha-3 chain	0.004	0.5027	0.5027
Schistosoma mansoni	metabotropic glutamate receptor	0.0041	0.5304	0.5123
Loa Loa (eye worm)	alpha-tubulin	0.0057	0.9284	0.9284
Trypanosoma brucei	alpha tubulin	0.0057	0.9284	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0057	0.9284	1
Loa Loa (eye worm)	beta-tubulin	0.0031	0.2828	0.2828
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0057	0.9284	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0057	0.9284	0.9002
Entamoeba histolytica	tubulin alpha-1 chain	0.0057	0.9284	1
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.9284	0.9002
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.7241	0.7497

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 47 nM	In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection	ChEMBL.	16039855
IC50 (binding)	= 47 nM	In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection	ChEMBL.	16039855

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: 11415580

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 344233