TDR Targets

Basic information

Technical information

TDR Targets ID: 316244
Name: 6,7-dichloro-2-cyclopentyl-2-methyl-5-[2-[4-( 2H-tetrazol-5-yl)phenyl]ethyl]-3H-inden-1-one
MW: 455.38 | Formula: C24H24Cl2N4O
H donors: 1 H acceptors: 4 LogP: 6.94 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1c(CCc2ccc(cc2)c2n[nH]nn2)cc2c(c1Cl)C(=O)C(C2)(C)C1CCCC1
InChi: 1S/C24H24Cl2N4O/c1-24(18-4-2-3-5-18)13-17-12-16(20(25)21(26)19(17)22(24)31)11-8-14-6-9-15(10-7-14)23-27-29-30-28-23/h6-7,9-10,12,18H,2-5,8,11,13H2,1H3,(H,27,28,29,30)
InChiKey: YUBMDUPQFJAXCO-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

6,7-dichloro-2-cyclopentyl-2-methyl-5-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]indan-1-one
6,7-dichloro-2-cyclopentyl-2-methyl-5-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-1-indanone
6,7-dichloro-2-cyclopentyl-2-methyl-5-[2-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]ethyl]-3H-inden-1-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutamate receptor, metabotropic 2	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 subtype 5a (mGluR5a), putative	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 mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	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
Loa Loa (eye worm)	hypothetical protein	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 granulosus	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
Loa Loa (eye worm)	glutamate receptor	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
Echinococcus multilocularis	metabotropic glutamate receptor 2	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	Cyclin, N-terminal domain containing protein	0.084	0.8119	1
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.025	0.2042	0.4001
Echinococcus multilocularis	cyclins	0.0272	0.2272	0.2272
Giardia lamblia	Kinase, CMGC CDK	0.0395	0.354	0.7166
Echinococcus granulosus	cyclins	0.0272	0.2272	0.2272
Trypanosoma cruzi	cyclin, putative	0.0526	0.4881	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0149	0.0149
Trichomonas vaginalis	CMGC family protein kinase	0.0395	0.354	0.7166
Schistosoma mansoni	cyclin k	0.0066	0.0149	0.0149
Entamoeba histolytica	cyclin family protein	0.0272	0.2272	0.4486
Echinococcus granulosus	cyclins	0.0272	0.2272	0.2272
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0395	0.354	0.3473
Giardia lamblia	G2/mitotic-specific cyclin B	0.0526	0.4881	1
Schistosoma mansoni	serine/threonine protein kinase	0.0395	0.354	0.354
Loa Loa (eye worm)	cyclin C	0.0066	0.0149	0.0047
Echinococcus multilocularis	cyclin G2	0.0066	0.0149	0.0149
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.025	0.2042	0.2042
Loa Loa (eye worm)	hypothetical protein	0.0389	0.3472	0.3405
Echinococcus multilocularis	cyclin y	0.0066	0.0149	0.0149
Trypanosoma brucei	protein kinase, putative	0.025	0.2042	0.4001
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0395	0.354	0.7166
Echinococcus granulosus	cyclin t1	0.0066	0.0149	0.0149
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0526	0.4881	0.5991
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0149	0.0131
Echinococcus granulosus	cyclins	0.0272	0.2272	0.2272
Schistosoma mansoni	cyclin G2	0.0066	0.0149	0.0149
Trypanosoma cruzi	cdc2-related kinase 1	0.0395	0.354	0.7166
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0149	0.0131
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.084	0.8119	0.8119
Echinococcus granulosus	cyclin b3	0.0272	0.2272	0.2272
Echinococcus multilocularis	cyclin y	0.0066	0.0149	0.0149
Loa Loa (eye worm)	cyclin domain-containing protein	0.084	0.8119	0.8099
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.0066	0.0149	0.0047
Schistosoma mansoni	cyclin B3	0.084	0.8119	0.8119
Echinococcus multilocularis	cyclin A3 4	0.0066	0.0149	0.0149
Plasmodium vivax	protein kinase Crk2	0.0395	0.354	1
Schistosoma mansoni	Cyclin fold protein	0.0066	0.0149	0.0149
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0395	0.354	0.7166
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0066	0.0149	0.0149
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0526	0.4881	1
Trichomonas vaginalis	cyclins, putative	0.0526	0.4881	1
Brugia malayi	intracellular kinase	0.025	0.2042	0.2475
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0395	0.354	1
Entamoeba histolytica	protein kinase domain containing protein	0.025	0.2042	0.4001
Trichomonas vaginalis	cyclin B, putative	0.0272	0.2272	0.4486
Giardia lamblia	Hypothetical protein	0.0272	0.2272	0.4486
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0395	0.354	0.3473
Trypanosoma cruzi	cdc2-related kinase 3	0.0395	0.354	0.7166
Echinococcus multilocularis	cyclins	0.0272	0.2272	0.2272
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0149	0.0047
Trichomonas vaginalis	cyclins, putative	0.0526	0.4881	1
Echinococcus multilocularis	G1:S specific cyclin D1	0.0066	0.0149	0.0149
Schistosoma mansoni	hypothetical protein	0.0066	0.0149	0.0149
Brugia malayi	hypothetical protein	0.049	0.4513	0.5535
Loa Loa (eye worm)	hypothetical protein	0.049	0.4513	0.4456
Schistosoma mansoni	cyclin G	0.0066	0.0149	0.0149
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0066	0.0149	0.0149
Onchocerca volvulus		0.0526	0.4881	1
Trichomonas vaginalis	cyclin B, putative	0.0526	0.4881	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0247	0.0147
Trypanosoma cruzi	cdc2-related kinase 1	0.0395	0.354	0.7166
Echinococcus granulosus	cyclin dependent kinase 1	0.0395	0.354	0.354
Brugia malayi	hypothetical protein	0.0066	0.0149	0.0131
Trichomonas vaginalis	CMGC family protein kinase	0.0395	0.354	0.7166
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.025	0.2042	0.2042
Trichomonas vaginalis	cyclin A, putative	0.0526	0.4881	1
Echinococcus granulosus	cyclins	0.0272	0.2272	0.2272
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0075	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0526	0.4881	0.4829
Echinococcus granulosus	protein kinase shaggy	0.025	0.2042	0.2042
Echinococcus multilocularis	cyclins	0.0272	0.2272	0.2272
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.025	0.2042	0.5583
Trichomonas vaginalis	cyclin B3, putative	0.0272	0.2272	0.4486
Loa Loa (eye worm)	cyclin domain-containing protein	0.0066	0.0149	0.0047
Echinococcus multilocularis	cyclin G2	0.0066	0.0149	0.0149
Trichomonas vaginalis	CMGC family protein kinase	0.025	0.2042	0.4001
Echinococcus multilocularis	cyclin k	0.0066	0.0149	0.0149
Trichomonas vaginalis	cyclins, putative	0.0526	0.4881	1
Echinococcus granulosus	cyclin	0.0066	0.0149	0.0149
Brugia malayi	Protein kinase domain containing protein	0.0395	0.354	0.433
Plasmodium falciparum	glycogen synthase kinase 3	0.025	0.2042	0.5583
Loa Loa (eye worm)	cyclin domain-containing protein	0.0066	0.0149	0.0047
Echinococcus multilocularis	cyclins	0.0272	0.2272	0.2272
Trichomonas vaginalis	cyclin B, putative	0.0526	0.4881	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0061	0.0102	0.0073
Echinococcus granulosus	cyclins	0.0066	0.0149	0.0149
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.0066	0.0149	0.0149
Echinococcus multilocularis	cyclin B3 1	0.0272	0.2272	0.2272
Echinococcus multilocularis	cyclin B	0.0526	0.4881	0.4881
Entamoeba histolytica	protein kinase, putative	0.025	0.2042	0.4001
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0149	0.0131
Schistosoma mansoni	cyclin d	0.0066	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0149	0.0047
Echinococcus granulosus	cyclin G2	0.0066	0.0149	0.0149
Trichomonas vaginalis	CMGC family protein kinase	0.0395	0.354	0.7166
Loa Loa (eye worm)	hypothetical protein	0.049	0.4513	0.4456
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0149	0.0131
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0149	0.0131
Leishmania major	cyclin	0.0526	0.4881	1
Echinococcus granulosus	cyclin k	0.0066	0.0149	0.0149
Giardia lamblia	Cyclin A	0.0272	0.2272	0.4486
Echinococcus multilocularis	cyclins	0.0272	0.2272	0.2272
Schistosoma mansoni	serine/threonine protein kinase	0.0395	0.354	0.354
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.025	0.2042	0.196
Giardia lamblia	Kinase, CMGC GSK	0.025	0.2042	0.4001
Echinococcus granulosus	cyclin B	0.0526	0.4881	0.4881
Loa Loa (eye worm)	cyclin domain-containing protein	0.0066	0.0149	0.0047
Plasmodium falciparum	cyclin	0.0272	0.2272	0.626
Brugia malayi	cyclin fold protein 1 variant b	0.0066	0.0149	0.0131
Schistosoma mansoni	cyclin l	0.0066	0.0149	0.0149
Trypanosoma cruzi	cdc2-related kinase 3	0.0395	0.354	0.7166
Echinococcus granulosus	cyclin G2	0.0066	0.0149	0.0149
Echinococcus granulosus	cyclin y	0.0066	0.0149	0.0149
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0075	0.0247	0.0247
Echinococcus multilocularis	cyclins	0.0272	0.2272	0.2272
Echinococcus multilocularis	cyclin dependent kinase	0.0395	0.354	0.354
Trypanosoma cruzi	cyclin 6, putative	0.0526	0.4881	1
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.025	0.2042	0.4001
Schistosoma mansoni	g1/s-specific cyclin C	0.0066	0.0149	0.0149
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0149	0.0131
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0395	0.354	0.354
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0526	0.4881	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0066	0.0149	0.0047
Echinococcus granulosus	cyclins	0.0272	0.2272	0.2272
Echinococcus multilocularis	cyclin	0.0066	0.0149	0.0149
Echinococcus granulosus	cyclin dependent kinase	0.0395	0.354	0.354
Echinococcus granulosus	Cyclin L1	0.0066	0.0149	0.0149
Entamoeba histolytica	protein kinase domain containing protein	0.025	0.2042	0.4001
Echinococcus multilocularis	cyclin t1	0.0066	0.0149	0.0149
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.084	0.8119	0.8119
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.1023	1	1
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.0066	0.0149	0.0149
Trypanosoma brucei	mitotic cyclin 6	0.0526	0.4881	1
Loa Loa (eye worm)	hypothetical protein	0.1023	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0272	0.2272	0.4486
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.1023	1	1
Echinococcus multilocularis	Cyclin L1	0.0066	0.0149	0.0149
Trichomonas vaginalis	cyclin D, putative	0.0272	0.2272	0.4486
Loa Loa (eye worm)	cyclin domain-containing protein	0.0066	0.0149	0.0047
Echinococcus multilocularis	protein kinase shaggy	0.025	0.2042	0.2042
Echinococcus granulosus	G1:S specific cyclin D1	0.0066	0.0149	0.0149
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0526	0.4881	0.5991
Echinococcus granulosus	cyclin A3 4	0.0066	0.0149	0.0149
Loa Loa (eye worm)	cyclin domain-containing protein	0.0066	0.0149	0.0047
Toxoplasma gondii	hypothetical protein	0.0206	0.1596	0.4269
Loa Loa (eye worm)	CYL-1 protein	0.0066	0.0149	0.0047
Echinococcus multilocularis	cyclin dependent kinase 1	0.0395	0.354	0.354
Plasmodium vivax	glycogen synthase kinase 3, putative	0.025	0.2042	0.5583
Echinococcus multilocularis	cyclin dependent kinase 5	0.0395	0.354	0.354
Brugia malayi	cell division control protein 2 homolog	0.0395	0.354	0.433
Trichomonas vaginalis	cyclin B, putative	0.0526	0.4881	1
Onchocerca volvulus		0.025	0.2042	0.4001
Trypanosoma brucei	cdc2-related kinase 1	0.0395	0.354	0.7166
Entamoeba histolytica	cell division protein kinase 2, putative	0.0395	0.354	0.7166
Trichomonas vaginalis	cyclin B, putative	0.0526	0.4881	1
Schistosoma mansoni	cyclins	0.0272	0.2272	0.2272
Schistosoma mansoni	cyclin B	0.0526	0.4881	0.4881
Echinococcus multilocularis	cyclins	0.0272	0.2272	0.2272
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0066	0.0149	0.0149
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0066	0.0149	0.0131
Brugia malayi	Cyclin C	0.0066	0.0149	0.0131
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.025	0.2042	0.196
Giardia lamblia	Kinase, CMGC CDK	0.0395	0.354	0.7166
Entamoeba histolytica	cyclin, putative	0.0526	0.4881	1
Echinococcus multilocularis	cyclin b3	0.0272	0.2272	0.2272
Echinococcus granulosus	cyclin dependent kinase 5	0.0395	0.354	0.354
Entamoeba histolytica	cell division protein kinase 2, putative	0.0395	0.354	0.7166
Plasmodium falciparum	protein kinase 5	0.0395	0.354	1
Brugia malayi	hypothetical protein	0.0066	0.0149	0.0131
Entamoeba histolytica	cyclin family protein	0.0272	0.2272	0.4486
Trichomonas vaginalis	cyclins, putative	0.0319	0.2758	0.5514
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0395	0.354	0.3473
Trichomonas vaginalis	cyclin D, putative	0.0272	0.2272	0.4486
Echinococcus multilocularis	cyclin dependent kinase 1	0.0395	0.354	0.354
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0069	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0254	0.2083	0.2001
Trichomonas vaginalis	cyclins, putative	0.0272	0.2272	0.4486
Giardia lamblia	Kinase, CMGC GSK	0.025	0.2042	0.4001
Trichomonas vaginalis	CMGC family protein kinase	0.025	0.2042	0.4001
Trichomonas vaginalis	cyclins, putative	0.0526	0.4881	1
Echinococcus granulosus	cyclin B3 1	0.0272	0.2272	0.2272
Entamoeba histolytica	cyclin, putative	0.0272	0.2272	0.4486
Trypanosoma brucei	cdc2-related kinase 3	0.0395	0.354	0.7166
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.025	0.2042	0.2042
Loa Loa (eye worm)	hypothetical protein	0.0526	0.4881	0.4829
Trypanosoma cruzi	cyclin, putative	0.0526	0.4881	1
Echinococcus granulosus	cyclin y	0.0066	0.0149	0.0149

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 1160 nM	Binding affinity against metabotropic glutamate receptor 2	ChEMBL.	15745798
EC50 (binding)	= 1160 nM	Binding affinity against metabotropic glutamate receptor 2	ChEMBL.	15745798
Potentiation (functional)	= 30 %	Potentiation expressed as a percentage of the maximum glutamate response at 1 mM	ChEMBL.	15745798
Potentiation (functional)	= 30 %	Potentiation expressed as a percentage of the maximum glutamate response at 1 mM	ChEMBL.	15745798

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: CHEMBL178823
PubChem: 11648184

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 316244