TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.438 | Formula: C19H19N3O2S
H donors: 0 H acceptors: 3 LogP: 4.05 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)c1noc(n1)[C@H]1CCCCN1C(=O)c1cccs1
InChi: 1S/C19H19N3O2S/c1-13-6-4-7-14(12-13)17-20-18(24-21-17)15-8-2-3-10-22(15)19(23)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3/t15-/m1/s1
InChiKey: KVODCDLUQSNOCC-OAHLLOKOSA-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
Echinococcus granulosus	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
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 2	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
Schistosoma mansoni	metabotropic glutamate receptor	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)	glutamate receptor	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 japonicum	hypothetical protein	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 granulosus	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	Importin beta-1 subunit	0.003	0.0567	0.0734
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1595	0.1595
Brugia malayi	hypothetical protein	0.0017	0.0142	0.0184
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0019	0.0225	0.0101
Schistosoma mansoni	hypothetical protein	0.0035	0.0744	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0744	0.0744
Trichomonas vaginalis	DNA polymerase eta, putative	0.0063	0.1633	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0047	0.1125	0.5939
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.032	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.3629	0.3629
Trypanosoma brucei	DNA polymerase IV, putative	0.0063	0.1633	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0846	0.4774
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0846	0.0846
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0031	0.0617	0.7193
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0744	0.0963
Trypanosoma cruzi	Vps23 core domain containing protein, putative	0.0023	0.0344	0.1445
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0035	0.0734	0.4344
Entamoeba histolytica	hypothetical protein	0.0037	0.0809	0.5266
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Brugia malayi	hypothetical protein	0.0026	0.0444	0.0575
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0044	0.1033	0.1337
Brugia malayi	Fli-1 protein	0.0229	0.7026	0.9089
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Brugia malayi	hypothetical protein	0.0037	0.0809	0.1046
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0126	0.0164
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0126	0.0162
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0126	0.0001
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0126	0.0162
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0383	0.1701
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0042	0.0957	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0444	0.3913
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0063	0.1633	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0041	0.0925	0.0809
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0567	0.2925
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.0411	0.0228
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.1551	0.1443
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0025	0.0411	0.1891
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0126	0.0126
Brugia malayi	hypothetical protein	0.0072	0.1943	0.2514
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0444	0.2111
Schistosoma mansoni	blooms syndrome DNA helicase	0.0037	0.0803	0.0686
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0025	0.0411	0.1939
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0035	0.0734	0.0734
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0809	0.0692
Entamoeba histolytica	hypothetical protein	0.0037	0.0809	0.5266
Schistosoma mansoni	tsg101-related	0.006	0.155	0.1443
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0567	0.6467
Schistosoma mansoni	ets-related	0.0229	0.7026	0.6988
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0019	0.0225	0.0101
Brugia malayi	metabotropic glutamate receptor type 2	0.0024	0.0368	0.0476
Echinococcus multilocularis	bloom syndrome protein	0.0047	0.1125	0.1013
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0567	0.2925
Schistosoma mansoni	metabotropic glutamate receptor	0.0024	0.0368	0.0245
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0126	0.0001
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0063	0.1633	1
Brugia malayi	Bloom's syndrome protein homolog	0.0047	0.1125	0.1456
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0444	0.3913
Mycobacterium ulcerans	DNA polymerase IV	0.0063	0.1633	0.5
Loa Loa (eye worm)	glutamate receptor	0.0019	0.0218	0.0218
Echinococcus granulosus	importin subunit beta 1	0.003	0.0567	0.0447
Trypanosoma brucei	Vps23 core domain containing protein, putative	0.0023	0.0344	0.1445
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0035	0.0734	0.0616
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0444	0.0444
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0603	0.3161
Trypanosoma brucei	DNA polymerase IV, putative	0.0056	0.141	0.852
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0809	0.0692
Trichomonas vaginalis	DNA helicase recq1, putative	0.0047	0.1125	0.5939
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0041	0.0925	0.0809
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.1551	0.1443
Leishmania major	DNA polymerase kappa, putative	0.0042	0.0957	0.5655
Brugia malayi	RNA, U transporter 1	0.0085	0.2365	0.3059
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.1183	0.153
Giardia lamblia	DINP protein human, muc B family	0.0042	0.0957	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0035	0.0734	0.0616
Schistosoma mansoni	tsg101-related	0.006	0.155	0.1443
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0809	0.0692
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0063	0.1633	1
Brugia malayi	Ets-domain containing protein	0.0075	0.2041	0.264
Trypanosoma brucei	DNA polymerase eta, putative	0.0062	0.1595	0.9749
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0018	0.017	0.0635
Schistosoma mansoni	hypothetical protein	0.0037	0.0809	0.0692
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0126	0.0126
Echinococcus granulosus	dna polymerase kappa	0.0063	0.1633	0.1527
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0049	0.1192	1
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0126	0.0164
Onchocerca volvulus		0.025	0.773	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0383	0.1745
Trypanosoma brucei	unspecified product	0.0024	0.038	0.1681
Trypanosoma brucei	unspecified product	0.0056	0.141	0.852
Brugia malayi	Pax transcription factor protein 2	0.025	0.773	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0063	0.1633	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0846	0.4774
Brugia malayi	ImpB/MucB/SamB family protein	0.0035	0.0734	0.095
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0225	0.0291
Mycobacterium ulcerans	DNA polymerase IV	0.0063	0.1633	0.5
Plasmodium vivax	importin-beta 2, putative	0.003	0.0567	0.8772
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.1401	0.1292
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0444	0.2165
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0019	0.0225	0.0101
Entamoeba histolytica	hypothetical protein	0.0037	0.0809	0.5266
Schistosoma mansoni	tsg101-related	0.0049	0.1192	0.108
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1278	0.1278
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0042	0.0957	0.5655
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0035	0.0734	0.7315
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0019	0.0225	0.0101
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0063	0.1633	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0126	0.0001
Loa Loa (eye worm)	hypothetical protein	0.003	0.0567	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0126	0.0126
Brugia malayi	Ets-domain containing protein	0.0075	0.2041	0.264
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0126	0.0001
Loa Loa (eye worm)	hypothetical protein	0.006	0.1551	0.1551
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0035	0.0734	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0143	0.4253	0.4253
Entamoeba histolytica	hypothetical protein	0.0037	0.0809	0.5266
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0444	0.4667
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0072	0.1943	0.1841
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0041	0.0939	1
Schistosoma mansoni	gabp alpha	0.0075	0.2041	0.194
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0444	0.2111
Trichomonas vaginalis	hypothetical protein	0.0035	0.0737	0.2836
Echinococcus granulosus	bloom syndrome protein	0.0047	0.1125	0.1013
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0041	0.0925	0.0809
Loa Loa (eye worm)	RecQ helicase	0.0047	0.1125	0.1125
Loa Loa (eye worm)	fli-1 protein	0.0229	0.7026	0.7026
Leishmania major	hypothetical protein, conserved	0.0023	0.0344	0.1482
Loa Loa (eye worm)	glutamate receptor	0.0049	0.1183	0.1183
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0075	0.2041	0.2041
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0225	0.1448
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0019	0.0225	0.1214
Schistosoma mansoni	DNA helicase recq5	0.0019	0.0225	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1686	0.1686
Echinococcus multilocularis	snurportin 1	0.032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1943	0.1943
Schistosoma mansoni	importin beta-1	0.003	0.0567	0.0447
Echinococcus multilocularis	GA binding protein alpha chain	0.0075	0.2041	0.194
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.3629	0.3629
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0567	0.0447
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1278	0.1278
Schistosoma mansoni	DNA polymerase eta	0.0062	0.1595	0.1489
Plasmodium falciparum	importin beta, putative	0.003	0.0567	0.5423
Echinococcus granulosus	GA binding protein alpha chain	0.0075	0.2041	0.194
Trypanosoma cruzi	DNA polymerase eta, putative	0.0062	0.1595	0.9749
Echinococcus multilocularis	dna polymerase kappa	0.0063	0.1633	0.1527
Brugia malayi	polk-prov protein	0.0039	0.0846	0.1094
Brugia malayi	ImpB/MucB/SamB family protein	0.0062	0.1595	0.2064
Leishmania major	DNA polymerase eta, putative	0.0037	0.0808	0.4639
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0603	0.3161
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0225	0.0291
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0032	0.0629	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0126	0.0001
Brugia malayi	MH2 domain containing protein	0.0124	0.3629	0.4695
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0035	0.0734	0.0616
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1278	0.1653
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.0808	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0444	0.2111
Echinococcus granulosus	dna polymerase eta	0.0062	0.1595	0.1489
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0019	0.0225	0.0225
Trypanosoma brucei	DNA polymerase kappa, putative	0.0063	0.1633	1
Schistosoma mansoni	hypothetical protein	0.032	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0126	0.0001
Entamoeba histolytica	recQ family helicase, putative	0.0025	0.0411	0.0353
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0603	0.3161
Loa Loa (eye worm)	pax transcription factor protein 2	0.025	0.773	0.773
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.0808	0.4523
Leishmania major	DNA polymerase eta, putative	0.0062	0.1595	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0063	0.1633	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0225	0.1448
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0025	0.0411	0.1891
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0072	0.1943	0.1841
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0126	0.0001
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0444	0.633
Echinococcus multilocularis	dna polymerase eta	0.0062	0.1595	0.1489
Trypanosoma brucei	unspecified product	0.0024	0.038	0.1681
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0957	0.5514
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1278	0.1653
Schistosoma mansoni	DNA helicase recq1	0.0019	0.0225	0.0101

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 0.9 %	Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as maximum glutamate-induced response preincubated for 140 secs before glutamate challenge by calcium fluorescence assay	ChEMBL.	21183344
IC50 (binding)	= 0.73 uM	Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincubated for 140 secs before glutamate challenge by calcium fluorescence assay	ChEMBL.	21183344

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: CHEMBL1771685

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 1558402