TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 291.35 | Formula: C17H17N5
H donors: 2 H acceptors: 3 LogP: 3.16 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CNc1ncnc2c1cc(nc2)NC1Cc2c(C1)cccc2
InChi: 1S/C17H17N5/c1-18-17-14-8-16(19-9-15(14)20-10-21-17)22-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,19,22)(H,18,20,21)
InChiKey: JUQPAKXXZYBJLM-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Metabotropic glutamate receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Echinococcus granulosus	metabotropic glutamate receptor 5	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
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
Schistosoma mansoni	metabotropic glutamate receptor	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
Loa Loa (eye worm)	hypothetical protein	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
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
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Brugia malayi	nuclear receptor RXR	0.0073	0.3292	0.3053
Loa Loa (eye worm)	hypothetical protein	0.0138	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0073	0.3292	0.3053
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Echinococcus granulosus	nuclear receptor nhr 48	0.0065	0.2488	0.2488
Brugia malayi	hypothetical protein	0.0065	0.2488	0.222
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0138	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0138	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0138	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0138	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0065	0.2488	0.2488
Brugia malayi	nuclear hormone receptor	0.0065	0.2488	0.222
Brugia malayi	hypothetical protein	0.0073	0.3292	0.3053
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0065	0.2488	0.2488
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0138	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0138	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0138	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Onchocerca volvulus		0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0138	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0073	0.3292	0.3292
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0065	0.2488	0.222
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0138	1	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.1982	0.1982
Brugia malayi	photoreceptor-specific nuclear receptor	0.0138	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0138	1	1
Brugia malayi	conserved hypotetical protein	0.0065	0.2488	0.222
Loa Loa (eye worm)	hypothetical protein	0.0073	0.3292	0.2695
Echinococcus granulosus	FTZ F1 alpha	0.0138	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0138	1	1
Schistosoma mansoni	coup transcription factor	0.0138	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0065	0.2488	0.2488
Brugia malayi	hypothetical protein	0.0065	0.2488	0.222
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0065	0.2488	0.2488
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0065	0.2488	0.2488
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0138	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0065	0.2488	0.1819
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0138	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0138	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0065	0.2488	0.2488
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0138	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0065	0.2488	0.2488
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0138	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0065	0.2488	0.222
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Schistosoma mansoni	nuclear hormone receptor	0.0065	0.2488	0.2488
Loa Loa (eye worm)	hypothetical protein	0.006	0.1982	0.1268
Brugia malayi	tailless protein	0.0065	0.2488	0.222
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Schistosoma mansoni	thyroid hormone receptor	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.3292	0.2695
Brugia malayi	Nuclear hormone receptor E75	0.0065	0.2488	0.222
Brugia malayi	nuclear receptor NHR-88	0.0065	0.2488	0.222
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0138	1	1
Schistosoma mansoni	nuclear receptor	0.0065	0.2488	0.2488
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Schistosoma mansoni	nuclear receptor nhr-48	0.0065	0.2488	0.2488
Onchocerca volvulus	Protein ultraspiracle homolog	0.0138	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.3292	0.2695
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0065	0.2488	0.2488
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0138	1	1
Schistosoma mansoni	zinc finger protein	0.0065	0.2488	0.2488
Echinococcus multilocularis	FTZ F1 alpha	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0138	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0138	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0138	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0138	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0073	0.3292	0.2695
Schistosoma mansoni	RAR-like nuclear receptor	0.0138	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0073	0.3292	0.3292
Brugia malayi	nuclear receptor RXR	0.0065	0.2488	0.222
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Schistosoma mansoni	retinoic acid receptor RXR	0.0138	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0138	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0065	0.2488	0.222
Brugia malayi	nuclear receptor NHR-88	0.0138	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0138	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0138	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0138	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0138	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0065	0.2488	0.222
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0073	0.3292	0.3292
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	1	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.0818	0.0491
Brugia malayi	nuclear hormone receptor family member odr-7	0.0065	0.2488	0.222
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0138	1	1
Schistosoma mansoni	nuclear receptor	0.0065	0.2488	0.2488
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0065	0.2488	0.2488
Brugia malayi	steroid hormone receptor	0.0138	1	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0065	0.2488	0.2488
Brugia malayi	ecdysone receptor	0.0065	0.2488	0.222
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.1982	0.1982
Loa Loa (eye worm)	hypothetical protein	0.0073	0.3292	0.2695
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0065	0.2488	0.2488
Brugia malayi	hypothetical protein	0.0073	0.3292	0.3053
Brugia malayi	nuclear receptor NHR-67	0.0065	0.2488	0.222
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0138	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0138	1	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.1508	0.1508
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0065	0.2488	0.2488
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0138	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0073	0.3292	0.3292
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2488	0.1819
Loa Loa (eye worm)	hypothetical protein	0.0138	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0138	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0138	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0138	1	1
Loa Loa (eye worm)	DR-78	0.0065	0.2488	0.1819
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0065	0.2488	0.1819
Loa Loa (eye worm)	hypothetical protein	0.0073	0.3292	0.2695
Brugia malayi	Nuclear hormone receptor-like 1	0.0073	0.3292	0.3053
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0138	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0138	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0065	0.2488	0.2488
Echinococcus multilocularis	ecdysone induced protein 78C	0.0138	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0138	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0065	0.2488	0.1819
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0138	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0065	0.2488	0.2488
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0138	1	1
Brugia malayi	nuclear hormone receptor	0.0138	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (functional)	= 160 nM	Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated 5 mins before glutamate challenge	ChEMBL.	19289283

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: CHEMBL447113

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 949642