TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.458 | Formula: C16H19NO2S2
H donors: 1 H acceptors: 2 LogP: 3.49 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(S(=O)(=O)NC1Cc2c(C1)ccc(c2)c1cscc1)C
InChi: 1S/C16H19NO2S2/c1-11(2)21(18,19)17-16-8-13-4-3-12(7-15(13)9-16)14-5-6-20-10-14/h3-7,10-11,16-17H,8-9H2,1-2H3
InChiKey: XJNIQOCLXHHARK-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
Homo sapiens	glutamate receptor, ionotropic, AMPA 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus granulosus	glutamate receptor 4	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus granulosus	glutamate receptor 2	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus multilocularis	glutamate receptor 2	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus multilocularis	glutamate receptor 2	Get druggable targets OG5_128645	All targets in OG5_128645
Loa Loa (eye worm)	glutamate receptor 1	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus multilocularis	glutamate receptor 4	Get druggable targets OG5_128645	All targets in OG5_128645
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus multilocularis	glutamate receptor subunit protein glur	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	Get druggable targets OG5_128645	All targets in OG5_128645
Brugia malayi	Glutamate receptor 1 precursor	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus granulosus	glutamate receptor subunit protein glur	Get druggable targets OG5_128645	All targets in OG5_128645
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128645	All targets in OG5_128645
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus granulosus	glutamate receptor 2	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus multilocularis	glutamate receptor 2	Get druggable targets OG5_128645	All targets in OG5_128645
Echinococcus granulosus	glutamate receptor 1	Get druggable targets OG5_128645	All targets in OG5_128645
Brugia malayi	Glutamate receptor 2 precursor	Get druggable targets OG5_128645	All targets in OG5_128645

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	glutamate receptor, ionotropic, AMPA 2	883 aa	810 aa	34.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0165	0.1993	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0131	0.0106
Giardia lamblia	Fructose-bisphosphate aldolase	0.0338	0.418	0.5
Echinococcus granulosus	glutamate receptor 4	0.0051	0.055	0.0526
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0131	0.0106
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0131	0.0106
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0242	0.2959	0.6379
Schistosoma mansoni	hypothetical protein	0.0018	0.0131	0.0106
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0351	0.0326
Treponema pallidum	fructose-bisphosphate aldolase	0.0338	0.418	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0131	0.0175
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0338	0.418	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0131	0.0175
Echinococcus multilocularis	nmda type glutamate receptor	0.0011	0.0047	0.0021
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0361	0.0336
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0361	0.0336
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0361	0.0336
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0351	0.0326
Echinococcus granulosus	protein quaking	0.0031	0.0303	0.0278
Echinococcus multilocularis	glutamate receptor 2	0.0087	0.1006	0.0983
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0131	0.0178
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0062	0.0692	0.0668
Schistosoma mansoni	hypothetical protein	0.0011	0.0047	0.0021
Brugia malayi	hypothetical protein	0.0031	0.0303	0.0556
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0131	0.0106
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0618	0.1244
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0011	0.0047	0.0021
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0338	0.418	1
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0011	0.0047	0.0021
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0351	0.0326
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0131	0.0106
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0072	0.0812	0.0789
Schistosoma mansoni	hypothetical protein	0.0473	0.5888	0.5878
Schistosoma mansoni	cpg binding protein	0.0035	0.0349	0.0324
Brugia malayi	Pre-SET motif family protein	0.0242	0.2959	0.638
Brugia malayi	tumor suppressor.	0.0372	0.4609	1
Echinococcus multilocularis	microtubule associated protein 2	0.0798	1	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0303	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0051	0.055	0.1095
Echinococcus multilocularis	glutamate receptor 4	0.0051	0.055	0.0526
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0338	0.418	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0392	0.0749
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0011	0.0047	0.0021
Echinococcus granulosus	glutamate receptor 2	0.0076	0.0864	0.0841
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0338	0.418	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0325	0.0601
Schistosoma mansoni	microtubule-associated protein tau	0.0798	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0351	0.0326
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0325	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0051	0.055	0.1095
Onchocerca volvulus		0.0035	0.0351	0.0084
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0392	0.0753
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0011	0.0047	0.0021
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0011	0.0047	0.0021
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0338	0.418	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0361	0.0336
Echinococcus multilocularis	protein quaking	0.0031	0.0303	0.0278
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0165	0.1993	0.5
Echinococcus granulosus	hypothetical protein	0.0031	0.0303	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0618	0.1244
Schistosoma mansoni	hypothetical protein	0.0018	0.0131	0.0106
Schistosoma mansoni	hypothetical protein	0.0031	0.0303	0.0278
Loa Loa (eye worm)	tumor suppressor	0.0372	0.4609	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0012	0.0051	0.0026
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0011	0.0047	0.0021
Loa Loa (eye worm)	glutamate receptor 1	0.0081	0.0933	0.1935
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0288	0.0263
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0351	0.0326
Echinococcus granulosus	GPCR family 2	0.0018	0.0131	0.0106
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0351	0.0326
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0618	0.1248
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0361	0.0336
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0338	0.418	1
Echinococcus multilocularis	glutamate receptor 2	0.0081	0.0933	0.091
Schistosoma mansoni	cpg binding protein	0.0033	0.0325	0.03
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0361	0.0336
Brugia malayi	Temporarily assigned gene name protein 44	0.0031	0.0303	0.0556
Schistosoma mansoni	hypothetical protein	0.0018	0.0131	0.0106
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0338	0.418	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0338	0.418	0.5
Schistosoma mansoni	glutamate receptor AMPA	0.003	0.0288	0.0263
Loa Loa (eye worm)	glutamate receptor 2	0.003	0.0288	0.052
Schistosoma mansoni	hypothetical protein	0.0039	0.0392	0.0368
Schistosoma mansoni	glutamate receptor NMDA	0.003	0.0288	0.0263
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0087	0.1006	0.0983
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0131	0.0178
Echinococcus granulosus	glutamate receptor 1	0.0051	0.055	0.0526
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0087	0.1006	0.0983
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.003	0.0288	0.0263
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0064	0.0717	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0131	0.0106
Onchocerca volvulus		0.0275	0.3379	1
Brugia malayi	Pre-SET motif family protein	0.0035	0.0351	0.0661
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0062	0.0692	0.0668
Echinococcus multilocularis	NMDA receptor	0.0011	0.0047	0.0021
Plasmodium vivax	SET domain protein, putative	0.0035	0.0351	0.5
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0288	0.0263
Schistosoma mansoni	ATP-binding cassette transporter	0.003	0.0288	0.0263
Echinococcus granulosus	nmda type glutamate receptor	0.0011	0.0047	0.0021
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0338	0.418	0.5
Echinococcus granulosus	dnaJ subfamily B	0.0473	0.5888	0.5878
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0303	0.0553
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0288	0.0263
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0012	0.0051	0.0026
Schistosoma mansoni	glutamate receptor AMPA	0.003	0.0288	0.0263
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0325	0.0605
Brugia malayi	Glutamate receptor 1 precursor	0.0081	0.0933	0.1938
Echinococcus multilocularis	dnaJ subfamily B	0.0473	0.5888	0.5878
Brugia malayi	Glutamate receptor 2 precursor	0.0081	0.0933	0.1938
Echinococcus multilocularis	cpg binding protein	0.0035	0.0349	0.0324
Trichomonas vaginalis	set domain proteins, putative	0.0275	0.3379	0.8083
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0338	0.418	1
Echinococcus granulosus	glutamate NMDA receptor subunit	0.003	0.0288	0.0263
Echinococcus granulosus	cpg binding protein	0.0035	0.0349	0.0324
Schistosoma mansoni	glutamate receptor NMDA	0.0036	0.0361	0.0336
Schistosoma mansoni	cpg binding protein	0.0035	0.0349	0.0324
Echinococcus multilocularis	glutamate receptor 2	0.0076	0.0864	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0051	0.055	0.1095
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0165	0.1993	0.5
Echinococcus granulosus	glutamate receptor 2	0.0087	0.1006	0.0983
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0351	0.0658
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0618	0.1248
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0351	0.0326

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 10 uM	Inhibition of human recombinant GluR2	ChEMBL.	20839777

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: CHEMBL1277272

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 1190037