TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 225.289 | Formula: C14H15N3
H donors: 0 H acceptors: 2 LogP: 2.93 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1ncc(cn1)/C=C/c1ccccc1)C
InChi: 1S/C14H15N3/c1-17(2)14-15-10-13(11-16-14)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChiKey: JHGOGVWVJGHTTP-CMDGGOBGSA-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

No synonyms found for this compound

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 japonicum	ko:K04606 glutamate receptor, metabotropic 3, putative	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 multilocularis	metabotropic glutamate receptor 2	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
Echinococcus granulosus	metabotropic glutamate receptor 2	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
Echinococcus granulosus	metabotropic glutamate receptor 5	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
Brugia malayi	Metabotropic glutamate receptor precursor.	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 mansoni	metabotropic glutamate receptor	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
Schistosoma japonicum	hypothetical protein	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	Receptor type tyrosine protein phosphatase O	0.0311	0.0329	0.0329
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.4935	0.5981	0.598
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0311	0.0329	0.032
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0311	0.0329	0.0329
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.1521	0.1809	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0311	0.0329	0.0329
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0311	0.0329	0.0329
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0311	0.0329	0.0329
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.4935	0.5981	0.5977
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0311	0.0329	0.032
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.4935	0.5981	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.0024	0.0024
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.4935	0.5981	1
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.4935	0.5981	1
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0311	0.0329	0.0329
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0311	0.0329	0.0329
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1521	0.1809	0.2618
Schistosoma mansoni	protein tyrosine phosphatase	0.0311	0.0329	0.0329
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.0018	0.0018
Brugia malayi	hypothetical protein	0.0311	0.0329	0.0325
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0311	0.0329	0.0329
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0311	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.4935	0.5981	0.5
Leishmania major	hypothetical protein, conserved	0.1521	0.1809	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0311	0.0329	0.0329
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase	0.0311	0.0329	0.0325
Schistosoma mansoni	protein tyrosine phosphatase	0.0311	0.0329	0.0329
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0311	0.0329	0.0329
Echinococcus multilocularis		0.0311	0.0329	0.0329
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0311	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Brugia malayi	hypothetical protein	0.0311	0.0329	0.0325
Trypanosoma cruzi	hypothetical protein, conserved	0.1521	0.1809	1
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0311	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.001	0.0006
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0311	0.0329	0.0329
Schistosoma mansoni	protein tyrosine phosphatase	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Brugia malayi	hypothetical protein	0.0311	0.0329	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Trypanosoma cruzi	hypothetical protein, conserved	0.1521	0.1809	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0311	0.0329	0.0329
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1521	0.1809	0.2618
Loa Loa (eye worm)	hypothetical protein	0.006	0.0024	0.0014
Brugia malayi	hypothetical protein	0.0311	0.0329	0.0325
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.3414	0.4122	0.5
Schistosoma mansoni	pcd6 interacting protein-related	0.0311	0.0329	0.0329
Echinococcus multilocularis	hypothetical protein	0.0311	0.0329	0.0329
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Brugia malayi	hypothetical protein	0.0311	0.0329	0.0325
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.4935	0.5981	1
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.4935	0.5981	1
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0311	0.0329	0.0329
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0311	0.0329	0.0325
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.4935	0.5981	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0311	0.0329	0.0329
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0311	0.0329	0.0329
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.0024	0.0024
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0311	0.0329	0.0329
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0311	0.0329	0.0329
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0311	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Loa Loa (eye worm)	hypothetical protein	0.0311	0.0329	0.032
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.4935	0.5981	1
Brugia malayi	Protein-tyrosine phosphatase	0.0311	0.0329	0.0325
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0311	0.0329	0.0329
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase 1	0.0311	0.0329	0.0325
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0311	0.0329	0.0329
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.4935	0.5981	1
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0311	0.0329	0.0329
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0311	0.0329	0.0329
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0311	0.0329	0.032
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.4935	0.5981	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0311	0.0329	0.032
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0311	0.0329	0.0329
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.0329	0.0325
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Onchocerca volvulus		0.4935	0.5981	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.0329	0.032
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0311	0.0329	0.0325

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 6.25	Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobilization after 1 hr by FLIPR assay	ChEMBL.	21295468
EC50 (binding)	= 566.7 nM	Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobilization after 1 hr by FLIPR assay	ChEMBL.	21295468

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: CHEMBL1682802

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 1505196