TDR Targets

Basic information

Technical information

TDR Targets ID: 314587
Name: 3-amino-6-chloro-5-(dimethylamino)-N-pyridin- 2-ylpyrazine-2-carboxamide
MW: 292.724 | Formula: C12H13ClN6O
H donors: 2 H acceptors: 4 LogP: 1.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1nc(Cl)c(nc1N)N(C)C)Nc1ccccn1
InChi: 1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-5-3-4-6-15-7/h3-6H,1-2H3,(H2,14,18)(H,15,16,20)
InChiKey: QUODWOZQRXAWHV-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

3-amino-6-chloro-5-(dimethylamino)-N-(2-pyridyl)pyrazine-2-carboxamide
3-amino-6-chloro-5-(dimethylamino)-N-(2-pyridyl)-2-pyrazinecarboxamide
3-azanyl-6-chloro-5-(dimethylamino)-N-pyridin-2-yl-pyrazine-2-carboxamide
3-amino-6-chloro-5-(dimethylamino)-N-(2-pyridyl)pyrazinamide
3-amino-6-chloro-5-dimethylamino-N-pyridin-2-ylpyrazine-2-carboxamide
3-amino-6-chloro-5-dimethylamino-N-(2-pyridyl)pyrazine-2-carboxamide
3-amino-6-chloro-5-dimethylamino-N-(2-pyridyl)-2-pyrazinecarboxamide
3-amino-6-chloro-5-dimethylamino-N-(2-pyridyl)pyrazinamide
3-amino-6-chloro-5-dimethylamino-N-pyridin-2-yl-pyrazine-2-carboxamide

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
Loa Loa (eye worm)	hypothetical protein	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 japonicum	hypothetical protein	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
Schistosoma mansoni	metabotropic glutamate receptor	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
Echinococcus granulosus	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	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
Schistosoma japonicum	ko:K04606 glutamate receptor, metabotropic 3, putative	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	Metabotropic glutamate receptor precursor, putative	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

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
Loa Loa (eye worm)	hypothetical protein	0.007	0.0278	0.0278
Loa Loa (eye worm)	pip kinase 2	0.0159	0.0813	0.0813
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0047	0.0147	0.0147
Echinococcus granulosus	dual specificity protein kinase clk2	0.0407	0.2295	0.2293
Schistosoma mansoni	hypothetical protein	0.0025	0.001	0.001
Schistosoma mansoni	serine/threonine protein kinase	0.0598	0.3435	0.3435
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0598	0.3435	0.3435
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0292	0.1609	0.1609
Loa Loa (eye worm)	peptidase family M13 containing protein	0.007	0.0278	0.0278
Echinococcus multilocularis		0.0398	0.224	0.2238
Trypanosoma brucei	cdc2-related kinase 3	0.0292	0.1609	0.4634
Schistosoma mansoni	metabotropic glutamate receptor	0.0041	0.0108	0.0108
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0003	0.0005
Trypanosoma cruzi	cdc2-related kinase 3	0.0292	0.1609	0.468
Plasmodium vivax	protein kinase Crk2	0.0292	0.1609	0.7007
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0094	0.0425	0.0901
Schistosoma mansoni	hypothetical protein	0.0025	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0032	0.0032
Brugia malayi	Protein kinase domain containing protein	0.0407	0.2295	0.4866
Loa Loa (eye worm)	hypothetical protein	0.0812	0.4716	0.4716
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0292	0.1609	0.1607
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.0155	0.0329
Echinococcus multilocularis	endothelin converting enzyme 1	0.0094	0.0425	0.0423
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0044	0.0128	0.0271
Echinococcus multilocularis	snurportin 1	0.0301	0.1662	0.166
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0003	0.0003
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0598	0.3435	1
Echinococcus granulosus	tumor protein p63	0.0331	0.1838	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0288	0.0288
Schistosoma mansoni	serine/threonine protein kinase	0.0292	0.1609	0.1609
Plasmodium falciparum	protein kinase 5	0.0292	0.1609	0.7007
Plasmodium vivax	serine/threonine kinase-1, putative	0.0407	0.2295	1
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0407	0.2295	0.665
Brugia malayi	hypothetical protein	0.0812	0.4716	1
Loa Loa (eye worm)	hypothetical protein	0.0812	0.4716	0.4716
Echinococcus granulosus	cyclin dependent kinase 5	0.0292	0.1609	0.1607
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0288	0.0288
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0047	0.0147	0.0147
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0032	0.0127
Loa Loa (eye worm)	hypothetical protein	0.1697	1	1
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0407	0.2295	0.2293
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0032	0.0029
Schistosoma mansoni	metabotropic glutamate receptor	0.0024	0.0006	0.0006
Leishmania major	protein kinase, putative	0.0407	0.2295	0.6679
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0032	0.0029
Echinococcus multilocularis	cyclin dependent kinase 1	0.0292	0.1609	0.1607
Echinococcus multilocularis	dna polymerase eta	0.0044	0.0125	0.0122
Trypanosoma cruzi	cdc2-related kinase 3	0.0292	0.1609	0.468
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0159	0.0813	0.0811
Loa Loa (eye worm)	hypothetical protein	0.006	0.0223	0.0223
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0598	0.3435	1
Trypanosoma brucei	cdc2-related kinase 1	0.0292	0.1609	0.4634
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0041	0.0108	0.0105
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0292	0.1609	0.7007
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0288	0.0288
Plasmodium falciparum	protein serine/threonine kinase-1	0.0407	0.2295	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0598	0.3435	1
Entamoeba histolytica	protein kinase, putative	0.0598	0.3435	1
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0047	0.0147	0.0147
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0407	0.2295	1
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.1697	1	1
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0407	0.2295	0.2295
Brugia malayi	Kringle domain containing protein	0.0023	0.0003	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0142	0.0142
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0301	0.1662	0.1662
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0125	0.0125
Echinococcus multilocularis	cyclin dependent kinase 1	0.0292	0.1609	0.1607
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0292	0.1609	0.468
Echinococcus granulosus	endothelin converting enzyme 1	0.0094	0.0425	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0398	0.224	0.224
Schistosoma mansoni	hypothetical protein	0.0301	0.1662	0.1662
Entamoeba histolytica	protein kinase domain containing protein	0.0598	0.3435	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0152	0.0152
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0288	0.0288
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.0125	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0589	0.338	0.338
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0425	0.0425
Giardia lamblia	Kinase, CMGC CLK	0.0407	0.2295	1
Toxoplasma gondii	peptidase family M13 protein	0.0094	0.0425	0.1843
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0047	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0813	0.0813
Trypanosoma cruzi	cdc2-related kinase 1	0.0292	0.1609	0.468
Loa Loa (eye worm)	hypothetical protein	0.007	0.0278	0.0278
Trypanosoma cruzi	cdc2-related kinase 1	0.0292	0.1609	0.468
Entamoeba histolytica	hypothetical protein	0.0598	0.3435	1
Schistosoma mansoni	neprilysin	0.0025	0.001	0.001
Brugia malayi	cell division control protein 2 homolog	0.0292	0.1609	0.3411
Schistosoma mansoni	hypothetical protein	0.0023	0.0003	0.0003
Loa Loa (eye worm)	TK/ROR protein kinase	0.0023	0.0003	0.0003
Echinococcus granulosus	dual specificity	0.0598	0.3435	0.3433
Schistosoma mansoni	hypothetical protein	0.0025	0.001	0.001
Leishmania major	DNA polymerase eta, putative	0.0031	0.0047	0.0129
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0159	0.0813	0.0813
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0032	0.0127
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0047	0.0147	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0425	0.0425
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0407	0.2295	0.6679
Brugia malayi	Pip kinase protein 2	0.0159	0.0813	0.1724
Trichomonas vaginalis	CMGC family protein kinase	0.0407	0.2295	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0094	0.0425	0.0425
Echinococcus multilocularis	dual specificity	0.0598	0.3435	0.3433
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0598	0.3435	1
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.1697	1	1
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0292	0.1609	0.468
Schistosoma mansoni	serine/threonine protein kinase	0.0407	0.2295	0.2295
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0407	0.2295	0.6679
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0425	0.0425
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0041	0.0108	0.0105
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0407	0.2295	0.6679
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.0223	0.022
Brugia malayi	Peptidase family M13 containing protein	0.0094	0.0425	0.0901
Onchocerca volvulus		0.0048	0.0152	0.1846
Schistosoma mansoni	hypothetical protein	0.0025	0.001	0.001
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0094	0.0425	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.0278	0.0278
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.0125	0.0265
Echinococcus granulosus	snurportin 1	0.0301	0.1662	0.166
Brugia malayi	metabotropic glutamate receptor type 2	0.0024	0.0006	0.0012
Loa Loa (eye worm)	peptidase family M13 containing protein	0.007	0.0278	0.0278
Loa Loa (eye worm)	glutamate receptor	0.0049	0.0155	0.0155
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0292	0.1609	0.1609
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0047	0.0147	0.0147
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.0125	0.0274
Echinococcus granulosus	cyclin dependent kinase	0.0292	0.1609	0.1607
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1554	0.1554
Brugia malayi	RNA, U transporter 1	0.008	0.0342	0.0726
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0159	0.0813	0.0813
Brugia malayi	Protein kinase domain containing protein	0.0292	0.1609	0.3411
Entamoeba histolytica	protein kinase, putative	0.0598	0.3435	1
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0159	0.0813	0.0811
Echinococcus granulosus	cyclin dependent kinase 1	0.0292	0.1609	0.1607
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0288	0.0288
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.0223	0.022
Onchocerca volvulus		0.0159	0.0813	1
Schistosoma mansoni	serine/threonine protein kinase	0.0407	0.2295	0.2295
Leishmania major	DNA polymerase eta, putative	0.0044	0.0125	0.0356
Echinococcus granulosus	hypothetical protein	0.0398	0.224	0.2238
Echinococcus multilocularis	cyclin dependent kinase	0.0292	0.1609	0.1607
Schistosoma mansoni	hypothetical protein	0.0025	0.001	0.001
Schistosoma mansoni	DNA polymerase eta	0.0044	0.0125	0.0125
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.0195	0.0195
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0407	0.2295	0.665
Schistosoma mansoni	hypothetical protein	0.0025	0.001	0.001
Brugia malayi	Protein kinase domain containing protein	0.0598	0.3435	0.7283
Schistosoma mansoni	importin beta-1	0.0028	0.0032	0.0032
Echinococcus granulosus	dna polymerase eta	0.0044	0.0125	0.0122
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0025	0.001	0.001
Echinococcus multilocularis	tumor protein p63	0.0331	0.1838	0.1836
Echinococcus multilocularis	cyclin dependent kinase 5	0.0292	0.1609	0.1607
Plasmodium falciparum	importin beta, putative	0.0028	0.0032	0.0127
Schistosoma mansoni	serine/threonine protein kinase	0.0292	0.1609	0.1609
Brugia malayi	Importin beta-1 subunit	0.0028	0.0032	0.0067
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0407	0.2295	0.6679
Loa Loa (eye worm)	hypothetical protein	0.007	0.0278	0.0278
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0047	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0589	0.338	0.338
Mycobacterium leprae	probable zinc metalloprotease	0.0094	0.0425	0.5
Leishmania major	protein kinase, putative	0.0407	0.2295	0.6679
Onchocerca volvulus		0.0047	0.0142	0.1714
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0292	0.1609	0.1609
Mycobacterium ulcerans	zinc metalloprotease	0.0094	0.0425	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 134 nM	Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection method	ChEMBL.	15686941
IC50 (binding)	= 134 nM	Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection method	ChEMBL.	15686941

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: 11150516

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 314587