TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.285 | Formula: C18H21Cl2N3O
H donors: 0 H acceptors: 2 LogP: 6 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)Cl)/C(=C/n1cncn1)/OC1CCCCCCC1
InChi: 1S/C18H21Cl2N3O/c19-14-8-9-16(17(20)10-14)18(11-23-13-21-12-22-23)24-15-6-4-2-1-3-5-7-15/h8-13,15H,1-7H2/b18-11-
InChiKey: BEPANIVQPGBOQX-WQRHYEAKSA-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 2	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	ko:K04606 glutamate receptor, metabotropic 3, putative	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 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
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
Echinococcus multilocularis	metabotropic glutamate receptor 5	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
Loa Loa (eye worm)	hypothetical protein	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	metabotropic glutamate receptor	Metabotropic glutamate receptor 2	872 aa	892 aa	26.9 %
Onchocerca volvulus	Cell death abnormality protein 8 homolog	Metabotropic glutamate receptor 2	872 aa	883 aa	43.3 %
Loa Loa (eye worm)	hypothetical protein	Metabotropic glutamate receptor 2	872 aa	822 aa	21.2 %
Onchocerca volvulus	Golgi-associated plant pathogenesis-related protein 1 homolog	Metabotropic glutamate receptor 2	872 aa	884 aa	35.3 %
Onchocerca volvulus		Metabotropic glutamate receptor 2	872 aa	774 aa	20.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	cathepsin L-like protease	0.0054	0.0677	0.8391
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0014	0.0004	0.0006
Echinococcus granulosus	zinc finger protein	0.0017	0.0041	0.0052
Leishmania major	UDP-galactopyranose mutase	0.0043	0.048	0.5958
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0107	0.1569	0.1989
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0042	0.0476	0.0603
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0051	0.0618	0.0783
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0372	0.0472
Schistosoma mansoni	gliotactin	0.0081	0.1133	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0004	0.0006
Onchocerca volvulus		0.0081	0.1133	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0562	0.9279	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0609
Trypanosoma cruzi	cruzipain precursor, putative	0.0054	0.0677	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0081	0.1133	0.1436
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0081	0.1133	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1133	0.1436
Schistosoma mansoni	metabotropic glutamate receptor	0.003	0.0264	0.0334
Brugia malayi	Carboxylesterase family protein	0.048	0.7891	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0043	0.048	0.0609
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0031	0.0276	0.035
Brugia malayi	Carboxylesterase family protein	0.0081	0.1133	0.1436
Loa Loa (eye worm)	bromodomain containing protein	0.0015	0.0013	0.0017
Echinococcus multilocularis		0.0043	0.048	0.0609
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0107	0.1569	0.1989
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0043	0.048	0.0609
Brugia malayi	Carboxylesterase family protein	0.0081	0.1133	0.1436
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0042	0.0476	0.0603
Schistosoma mansoni	amine oxidase	0.0043	0.048	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1033	0.1309
Schistosoma mansoni	hypothetical protein	0.0018	0.0056	0.0071
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0081	0.1133	0.1436
Echinococcus granulosus	carboxylesterase 5A	0.048	0.7891	1
Echinococcus multilocularis	acetylcholinesterase	0.048	0.7891	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.048	0.7891	1
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0043	0.048	0.5958
Onchocerca volvulus		0.0081	0.1133	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Brugia malayi	SWIRM domain containing protein	0.0043	0.048	0.0609
Plasmodium falciparum	protoporphyrinogen oxidase	0.0043	0.048	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0605	1	1
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0014	0.0004	0.0006
Leishmania major	cathepsin L-like protease	0.0054	0.0677	0.8391
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0043	0.048	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0014	0.0004	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1133	0.1436
Leishmania major	cathepsin L-like protease	0.0054	0.0677	0.8391
Brugia malayi	PHD-finger family protein	0.0021	0.0117	0.0149
Trypanosoma cruzi	major cysteine proteinase, putative	0.0043	0.048	0.7098
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0061	0.0794	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0031
Echinococcus granulosus	neuroligin	0.0081	0.1133	0.1436
Brugia malayi	hypothetical protein	0.0081	0.1133	0.1436
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0014	0.0004	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0249	0.0316
Schistosoma mansoni	amine oxidase	0.0043	0.048	0.0609
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0081	0.1133	0.1436
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.048	1
Loa Loa (eye worm)	hypothetical protein	0.048	0.7891	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Onchocerca volvulus		0.0081	0.1133	1
Onchocerca volvulus		0.0043	0.048	0.4239
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0014	0.0004	0.0006
Echinococcus granulosus	acetylcholinesterase	0.048	0.7891	1
Entamoeba histolytica	cysteine proteinase, putative	0.0014	0	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0116	0.1715	0.2173
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0806	0.1022
Echinococcus multilocularis	carboxylesterase 5A	0.048	0.7891	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0043	0.048	0.0609
Echinococcus granulosus	fetal alzheimer antigen falz	0.0019	0.0083	0.0106
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0806	1
Brugia malayi	Carboxylesterase family protein	0.0081	0.1133	0.1436
Schistosoma mansoni	bromodomain containing protein	0.0054	0.0669	0.0848
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0806	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0609
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0081	0.1133	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0055	0.0697	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0609
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0043	0.048	0.0609
Loa Loa (eye worm)	glutamate receptor	0.0061	0.0794	0.1006
Brugia malayi	metabotropic glutamate receptor type 2	0.003	0.0264	0.0334
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.048	1
Onchocerca volvulus		0.0081	0.1133	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0806	1
Loa Loa (eye worm)	PHD-finger family protein	0.0018	0.0056	0.0071
Schistosoma mansoni	thyroid hormone receptor	0.0116	0.1715	0.2173
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0014	0.0004	0.0006
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0075	0.1033	0.1309
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0049	0.0597	0.8824
Echinococcus multilocularis	para nitrobenzyl esterase	0.0081	0.1133	0.1436
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0081	0.1133	0.0742
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0043	0.048	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0081	0.1133	0.1436
Loa Loa (eye worm)	acetylcholinesterase 1	0.048	0.7891	1
Brugia malayi	Receptor family ligand binding region containing protein	0.0016	0.0024	0.0031
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0806	0.1022
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0043	0.048	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0081	0.1133	0.1436
Mycobacterium ulcerans	carboxylesterase, LipT	0.0081	0.1133	0.0686
Echinococcus granulosus	BC026374 protein S09 family	0.0081	0.1133	0.1436
Schistosoma mansoni	zinc finger protein	0.0017	0.0041	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0345	0.0437
Schistosoma mansoni	thyroid hormone receptor	0.0116	0.1715	0.2173
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0043	0.048	0.7101
Brugia malayi	Carboxylesterase family protein	0.0081	0.1133	0.1436
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0014	0.0004	0.0006
Loa Loa (eye worm)	hypothetical protein	0.006	0.0776	0.0984
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0043	0.048	0.7101
Entamoeba histolytica	cysteine proteinase, putative	0.0014	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Schistosoma mansoni	hypothetical protein	0.0107	0.1569	0.1989
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0051	0.0626	0.0793
Trypanosoma cruzi	cysteine peptidase, putative	0.0054	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1133	0.1436
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0043	0.048	0.0609
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0016	0.0024	0.0031
Schistosoma mansoni	BC026374 protein (S09 family)	0.0081	0.1133	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0609
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0043	0.048	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0609
Schistosoma mansoni	acetylcholinesterase	0.0081	0.1133	0.1436
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0043	0.048	0.0609
Trypanosoma cruzi	cysteine peptidase, putative	0.0054	0.0677	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0019	0.0083	0.0106
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0042	0.0476	0.0603
Loa Loa (eye worm)	hypothetical protein	0.048	0.7891	1
Brugia malayi	Carboxylesterase family protein	0.048	0.7891	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0476	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0311	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0043	0.048	0.0609
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0081	0.1133	0.0742
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0075	0.1033	0.1309
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0081	0.1133	0.0742
Echinococcus granulosus	histone lysine methyltransferase setb	0.0014	0.0004	0.0006
Trypanosoma cruzi	cysteine peptidase, putative	0.0054	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1133	0.1436
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0051	0.0626	0.0793
Loa Loa (eye worm)	carboxylesterase	0.0081	0.1133	0.1436
Schistosoma mansoni	metabotropic glutamate receptor	0.0051	0.0626	0.0793
Toxoplasma gondii	histone lysine-specific demethylase	0.0043	0.048	0.5958
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Brugia malayi	Bromodomain containing protein	0.0064	0.0838	0.1062
Schistosoma mansoni	hypothetical protein	0.0029	0.0249	0.0316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0043	0.048	0.0609
Onchocerca volvulus		0.0081	0.1133	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.0677	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0043	0.048	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0081	0.1133	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1133	0.1436
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0806	0.0342
Echinococcus multilocularis	zinc finger protein	0.0017	0.0041	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1133	0.1436
Echinococcus multilocularis	neuroligin	0.0081	0.1133	0.1436
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0069	0.0936	0.1186
Brugia malayi	Bromodomain containing protein	0.0033	0.031	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1133	0.1436
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0031	0.0276	0.035
Echinococcus granulosus	acetylcholinesterase	0.048	0.7891	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0051	0.0618	0.0783
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0043	0.048	1
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0016	0.0024	0.0031
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0081	0.1133	0.1436
Brugia malayi	hypothetical protein	0.0043	0.048	0.0609
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0806	0.1022
Trichomonas vaginalis	spcc417.12 protein, putative	0.0081	0.1133	1
Entamoeba histolytica	cysteine protease, putative	0.0014	0	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0806	0.1022
Loa Loa (eye worm)	carboxylesterase	0.0081	0.1133	0.1436
Brugia malayi	latrophilin 2 splice variant baaae	0.0029	0.0249	0.0316
Loa Loa (eye worm)	glutamate receptor	0.0024	0.0166	0.0211
Loa Loa (eye worm)	carboxylesterase	0.048	0.7891	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0806	0.0342
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0806	0.037
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0019	0.0083	0.0106
Echinococcus multilocularis	acetylcholinesterase	0.048	0.7891	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.21 uM	Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells	ChEMBL.	10465539
IC50 (binding)	= 1.21 uM	Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells	ChEMBL.	10465539

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

No external resources registered for this compound

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 112645