TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 226.317 | Formula: C15H18N2
H donors: 1 H acceptors: 1 LogP: 3.98 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: C1CCC(CC1)Nc1ccnc2c1cccc2
InChi: 1S/C15H18N2/c1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h4-5,8-12H,1-3,6-7H2,(H,16,17)
InChiKey: XRSBCRPPSASDNY-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
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
Loa Loa (eye worm)	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
Schistosoma japonicum	ko:K04606 glutamate receptor, metabotropic 3, 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 japonicum	hypothetical protein	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 mansoni	metabotropic glutamate receptor 2 3 (mglur group 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
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
Echinococcus multilocularis	metabotropic glutamate receptor 5	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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0064	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.003	0.0064	0.0064
Schistosoma mansoni	cathepsin F (C01 family)	0.003	0.0064	0.0064
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0064	0.5
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Brugia malayi	Cathepsin L-like precursor	0.003	0.0064	0.0064
Echinococcus multilocularis	cathepsin b	0.1003	1	1
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.003	0.0064	0.0064
Brugia malayi	Cathepsin L-like precursor	0.003	0.0064	0.0064
Echinococcus granulosus	cathepsin b	0.1003	1	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0044	0.0209	0.0209
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Brugia malayi	cathepsin F-like cysteine proteinase	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Onchocerca volvulus	Cathepsin L homolog	0.003	0.0064	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0064	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0331	0.3137	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0331	0.3137	0.3093
Plasmodium falciparum	cysteine proteinase falcipain 3	0.003	0.0064	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.003	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.003	0.0064	0.5
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.003	0.0064	0.5
Plasmodium vivax	vivapain-2	0.003	0.0064	0.5
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.0325	0.0325
Plasmodium vivax	vivapain-3	0.003	0.0064	0.5
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0331	0.3137	1
Entamoeba histolytica	cysteine proteinase 2	0.003	0.0064	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0064	0.5
Brugia malayi	cathepsin L-like cysteine proteinase	0.003	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.003	0.0064	0.5
Onchocerca volvulus	Cathepsin L homolog	0.003	0.0064	0.5
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0331	0.3137	1
Loa Loa (eye worm)	cathepsin B	0.0331	0.3137	0.3093
Loa Loa (eye worm)	glutamate receptor	0.0049	0.0256	0.0194
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.003	0.0064	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0372	0.031
Onchocerca volvulus		0.003	0.0064	0.5
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.003	0.0064	0.5
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.0372	0.031
Brugia malayi	Papain family cysteine protease containing protein	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.003	0.0064	0.5
Plasmodium falciparum	cysteine proteinase falcipain 1	0.003	0.0064	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1003	1	1
Brugia malayi	Cathepsin L-like precursor	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0064	0.5
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Schistosoma mansoni	cathepsin C	0.003	0.0064	0.0064
Plasmodium falciparum	serine repeat antigen 8	0.003	0.0064	0.5
Brugia malayi	fibroinase precursor	0.003	0.0064	0.0064
Onchocerca volvulus		0.003	0.0064	0.5
Giardia lamblia	Cathepsin B precursor	0.0331	0.3137	1
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0064	0.5
Onchocerca volvulus		0.003	0.0064	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.003	0.0064	0.0064
Plasmodium vivax	vivapain-2	0.003	0.0064	0.5
Onchocerca volvulus	Cathepsin L homolog	0.003	0.0064	0.5
Loa Loa (eye worm)	hypothetical protein	0.1003	1	1
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0041	0.0175	0.0112
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1003	1	1
Brugia malayi	Cathepsin L-like precursor	0.003	0.0064	0.0064
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.003	0.0064	0.5
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.003	0.0064	0.5
Schistosoma mansoni	cathepsin B (C01 family)	0.003	0.0064	0.0064
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1003	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.003	0.0064	0.0064
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.003	0.0064	0.5
Giardia lamblia	Cathepsin B precursor	0.0331	0.3137	1
Onchocerca volvulus	Cathepsin F homolog	0.003	0.0064	0.5
Echinococcus granulosus	cathepsin b	0.1003	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.003	0.0064	0.5
Plasmodium vivax	vivapain-1	0.003	0.0064	0.5
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.003	0.0064	0.0064
Onchocerca volvulus		0.003	0.0064	0.5
Toxoplasma gondii	cathepsin B	0.0331	0.3137	1
Brugia malayi	cathepsin L precursor	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Plasmodium falciparum	serine repeat antigen 7	0.003	0.0064	0.5
Plasmodium vivax	unspecified product	0.003	0.0064	0.5
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.003	0.0064	0.5
Brugia malayi	cathepsin Z-like cysteine proteinase	0.003	0.0064	0.0064
Plasmodium falciparum	serine repeat antigen 5	0.003	0.0064	0.5
Onchocerca volvulus		0.003	0.0064	0.5
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.0256	0.0256
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Onchocerca volvulus		0.003	0.0064	0.5
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.003	0.0064	0.5
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.0372	0.031
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Brugia malayi	Cathepsin L-like precursor	0.003	0.0064	0.0064
Plasmodium vivax	unspecified product	0.003	0.0064	0.5
Plasmodium falciparum	serine repeat antigen 6	0.003	0.0064	0.5
Onchocerca volvulus		0.003	0.0064	0.5
Giardia lamblia	Cathepsin B precursor	0.0331	0.3137	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.003	0.0064	0.0064
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1003	1	1
Echinococcus multilocularis	cathepsin b	0.1003	1	1
Brugia malayi	cathepsin L-like precursor	0.003	0.0064	0.0064
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.003	0.0064	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.003	0.0064	0.0064
Onchocerca volvulus		0.003	0.0064	0.5
Brugia malayi	cathepsin Z-like cysteine proteinase	0.003	0.0064	0.0064
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.003	0.0064	0.5
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.003	0.0064	0.0064
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.003	0.0064	0.0064
Plasmodium falciparum	serine repeat antigen 1	0.003	0.0064	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.003	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen (SERA)	0.003	0.0064	0.5
Brugia malayi	Cathepsin L-like precursor	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Plasmodium falciparum	serine repeat antigen 9	0.003	0.0064	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0331	0.3137	0.3137
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.003	0.0064	0.0064
Brugia malayi	Papain family cysteine protease containing protein	0.003	0.0064	0.0064
Brugia malayi	Cathepsin L-like precursor	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine proteinase 1, putative	0.003	0.0064	0.5
Plasmodium falciparum	serine repeat antigen 4	0.003	0.0064	0.5
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Schistosoma mansoni	cathepsin S (C01 family)	0.003	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.003	0.0064	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.003	0.0064	0.0064
Brugia malayi	Papain family cysteine protease containing protein	0.003	0.0064	0.0064
Plasmodium falciparum	serine repeat antigen 2	0.003	0.0064	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0064	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.003	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.003	0.0064	0.5
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Entamoeba histolytica	hypothetical protein	0.003	0.0064	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.003	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen (SERA)	0.003	0.0064	0.5
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.003	0.0064	0.5
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.003	0.0064	0.0064
Onchocerca volvulus		0.003	0.0064	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1003	1	1
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0041	0.0175	0.0112
Brugia malayi	Cathepsin L-like precursor	0.003	0.0064	0.0064
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Entamoeba histolytica	cysteine protease, putative	0.003	0.0064	0.5
Plasmodium falciparum	serine repeat antigen 3	0.003	0.0064	0.5
Schistosoma mansoni	metabotropic glutamate receptor	0.0041	0.0175	0.0175

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (functional)	= 6160 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: CHEMBL449616

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 957091