TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 325.276 | Formula: C16H11N3O5
H donors: 3 H acceptors: 7 LogP: 1.69 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cc1cccc2c1Cc1c2nc(c2n1cc(n2)C(=O)O)O
InChi: 1S/C16H11N3O5/c20-12(21)4-7-2-1-3-8-9(7)5-11-13(8)18-15(22)14-17-10(16(23)24)6-19(11)14/h1-3,6H,4-5H2,(H,18,22)(H,20,21)(H,23,24)
InChiKey: KGABLDAFOWCUMF-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	Glutamate NMDA receptor	Starlite/ChEMBL	References
Rattus norvegicus	Glutamate receptor ionotropic, AMPA	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	907 aa	888 aa	34.0 %
Drosophila melanogaster	Glutamate receptor IIB	Glutamate receptor ionotropic, AMPA	907 aa	863 aa	27.8 %
Drosophila melanogaster	Glutamate receptor IA	Glutamate receptor ionotropic, AMPA	907 aa	900 aa	40.6 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	34.1 %
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	959 aa	30.9 %
Echinococcus granulosus	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	875 aa	30.4 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	33.6 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %
Drosophila melanogaster	NMDA receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	789 aa	22.1 %
Onchocerca volvulus		Glutamate receptor ionotropic, AMPA	907 aa	796 aa	40.5 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	948 aa	30.6 %
Echinococcus multilocularis	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	868 aa	30.4 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	886 aa	34.2 %
Onchocerca volvulus	Putative 39S ribosomal protein L45, mitochondrial	Glutamate receptor ionotropic, AMPA	907 aa	799 aa	37.7 %
Schistosoma mansoni	glutamate receptor kainate	Glutamate receptor ionotropic, AMPA	907 aa	753 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0156	0.0135	1
Echinococcus multilocularis	G protein coupled receptor 139	0.0156	0.0135	1
Echinococcus granulosus	neuropeptides capa receptor	0.0156	0.0135	1
Brugia malayi	GnHR receptor homolog	0.0156	0.0135	0.5
Schistosoma mansoni	hypothetical protein	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0156	0.0135	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0156	0.0135	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0156	0.0135	1
Echinococcus multilocularis	neuropeptide receptor	0.0156	0.0135	1
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Onchocerca volvulus		0.0156	0.0135	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0156	0.0135	1
Schistosoma mansoni	amine GPCR	0.0156	0.0135	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0156	0.0135	1
Echinococcus granulosus	serotonin receptor	0.0156	0.0135	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0156	0.0135	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0156	0.0135	1
Echinococcus granulosus	hypothetical protein	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	hypothetical protein	0.0156	0.0135	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0156	0.0135	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	biogenic amine receptor	0.0156	0.0135	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0156	0.0135	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0156	0.0135	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0156	0.0135	1
Schistosoma mansoni	amine GPCR	0.0156	0.0135	1
Schistosoma mansoni	biogenic amine receptor	0.0156	0.0135	1
Schistosoma mansoni	neuropeptide receptor	0.0156	0.0135	1
Echinococcus granulosus	fmrfamide receptor	0.0156	0.0135	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0156	0.0135	0.5
Mycobacterium ulcerans	isopentenyl pyrophosphate isomerase	0.0946	0.1134	0.3456
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0156	0.0135	1
Onchocerca volvulus		0.0156	0.0135	0.5
Onchocerca volvulus		0.0156	0.0135	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0156	0.0135	0.5
Onchocerca volvulus		0.0156	0.0135	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0156	0.0135	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0156	0.0135	1
Echinococcus multilocularis	g protein coupled receptor	0.0156	0.0135	1
Schistosoma mansoni	biogenic amine receptor	0.0156	0.0135	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0156	0.0135	1
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0156	0.0135	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0156	0.0135	1
Schistosoma mansoni	hypothetical protein	0.0156	0.0135	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0156	0.0135	0.5
Entamoeba histolytica	isopentenyl-diphosphate delta-isomerase, putative	0.0946	0.1134	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0156	0.0135	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0156	0.0135	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0156	0.0135	0.5
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0156	0.0135	1
Echinococcus multilocularis	orexin receptor type 2	0.0156	0.0135	1
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0156	0.0135	1
Echinococcus granulosus	g protein coupled receptor	0.0156	0.0135	1
Echinococcus multilocularis	g protein coupled receptor	0.0156	0.0135	1
Echinococcus granulosus	allatostatin A receptor	0.0156	0.0135	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0156	0.0135	0.5
Onchocerca volvulus		0.0156	0.0135	0.5
Schistosoma mansoni	hypothetical protein	0.0156	0.0135	1
Mycobacterium ulcerans	L-lactate dehydrogenase (cytochrome) LldD1	0.0946	0.1134	0.3456
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0156	0.0135	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0156	0.0135	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Onchocerca volvulus		0.0156	0.0135	0.5
Onchocerca volvulus		0.0156	0.0135	0.5
Brugia malayi	G protein-coupled receptor	0.0156	0.0135	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0156	0.0135	1
Schistosoma mansoni	adenoreceptor	0.0156	0.0135	1
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Mycobacterium tuberculosis	Possible L-lactate dehydrogenase (cytochrome) LldD2	0.2638	0.3277	1
Schistosoma mansoni	neuropeptide receptor	0.0156	0.0135	1
Echinococcus granulosus	neuropeptide Y receptor	0.0156	0.0135	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Leishmania major	isopentenyl-diphosphate delta-isomerase, putative,isomerase, putative	0.0946	0.1134	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0156	0.0135	1
Echinococcus granulosus	sex peptide receptor	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Brugia malayi	neuropeptide F receptor	0.0156	0.0135	0.5
Brugia malayi	Dopamine receptor	0.0156	0.0135	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0156	0.0135	1
Onchocerca volvulus		0.0156	0.0135	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0156	0.0135	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0156	0.0135	1
Mycobacterium ulcerans	L-lactate dehydrogenase (cytochrome) LldD2	0.2638	0.3277	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0156	0.0135	0.5
Onchocerca volvulus		0.0156	0.0135	0.5
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Chlamydia trachomatis	glutamine binding protein	0.0052	0.0003	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0156	0.0135	1
Echinococcus multilocularis	fmrfamide receptor	0.0156	0.0135	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0156	0.0135	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0156	0.0135	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0156	0.0135	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0156	0.0135	1
Echinococcus granulosus	somatostatin receptor	0.0156	0.0135	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0156	0.0135	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0156	0.0135	1
Trypanosoma brucei	isopentenyl-diphosphate delta-isomerase (type II)	0.0946	0.1134	0.5
Schistosoma mansoni	amine GPCR	0.0156	0.0135	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0156	0.0135	1
Echinococcus multilocularis	serotonin receptor	0.0156	0.0135	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0156	0.0135	1
Brugia malayi	G-protein coupled receptor	0.0156	0.0135	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0156	0.0135	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0156	0.0135	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0156	0.0135	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0156	0.0135	1
Echinococcus multilocularis	neuropeptide receptor	0.0156	0.0135	1
Schistosoma mansoni	myosin xvIII	0.0156	0.0135	1
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0156	0.0135	1
Brugia malayi	neuropeptide F receptor	0.0156	0.0135	0.5
Schistosoma mansoni	histamine h1 receptor	0.0156	0.0135	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0156	0.0135	1
Schistosoma mansoni	neuropeptide receptor	0.0156	0.0135	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0156	0.0135	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	opsin-like receptor	0.0156	0.0135	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0156	0.0135	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0156	0.0135	1
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Schistosoma mansoni	opsin-like receptor	0.0156	0.0135	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0156	0.0135	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0156	0.0135	1
Echinococcus granulosus	neuropeptides capa receptor	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	amine GPCR	0.0156	0.0135	1
Onchocerca volvulus		0.0156	0.0135	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0156	0.0135	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Echinococcus granulosus	g-protein coupled receptor	0.0156	0.0135	1
Echinococcus granulosus	neuropeptide receptor	0.0156	0.0135	1
Onchocerca volvulus		0.0156	0.0135	0.5
Brugia malayi	putative neuropeptide receptor	0.0156	0.0135	0.5
Brugia malayi	Serotonin receptor	0.0156	0.0135	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0156	0.0135	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0156	0.0135	1
Mycobacterium leprae	POSSIBLE L-LACTATE DEHYDROGENASE (CYTOCHROME) LLDD2	0.2638	0.3277	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0156	0.0135	1
Treponema pallidum	hypothetical protein	0.2638	0.3277	1
Echinococcus multilocularis	sex peptide receptor	0.0156	0.0135	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0156	0.0135	1
Echinococcus multilocularis	serotonin receptor	0.0156	0.0135	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0156	0.0135	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0156	0.0135	1
Brugia malayi	G-protein coupled receptor	0.0156	0.0135	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0156	0.0135	1
Onchocerca volvulus		0.0156	0.0135	0.5
Brugia malayi	RE15519p	0.0156	0.0135	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0156	0.0135	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0156	0.0135	1
Echinococcus granulosus	g protein coupled receptor	0.0156	0.0135	1
Onchocerca volvulus		0.0156	0.0135	0.5
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0052	0.0003	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0156	0.0135	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0156	0.0135	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0156	0.0135	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0156	0.0135	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0156	0.0135	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0156	0.0135	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0156	0.0135	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0156	0.0135	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0156	0.0135	1
Brugia malayi	larval opioid receptor	0.0156	0.0135	0.5
Loa Loa (eye worm)	hypothetical protein	0.795	1	1
Brugia malayi	AKH receptor	0.0156	0.0135	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0156	0.0135	1
Onchocerca volvulus		0.0156	0.0135	0.5
Onchocerca volvulus		0.0156	0.0135	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0156	0.0135	1
Schistosoma mansoni	neuropeptide receptor	0.0156	0.0135	1
Brugia malayi	Serotonin receptor	0.0156	0.0135	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0156	0.0135	0.5
Onchocerca volvulus		0.0156	0.0135	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0156	0.0135	1
Echinococcus multilocularis	nmda type glutamate receptor	0.0072	0.0028	0.2094
Onchocerca volvulus		0.0156	0.0135	0.5
Echinococcus granulosus	nmda type glutamate receptor	0.0072	0.0028	0.2094
Echinococcus multilocularis	allatostatin A receptor	0.0156	0.0135	1
Echinococcus multilocularis	somatostatin receptor	0.0156	0.0135	1
Echinococcus granulosus	orexin receptor type 2	0.0156	0.0135	1
Brugia malayi	Dopamine receptor protein 2	0.0156	0.0135	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.0156	0.0135	1
Echinococcus granulosus	g protein coupled receptor	0.0156	0.0135	1
Echinococcus granulosus	neuropeptide s receptor	0.0156	0.0135	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0156	0.0135	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0156	0.0135	1
Echinococcus multilocularis	neuropeptide s receptor	0.0156	0.0135	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0156	0.0135	0.5
Brugia malayi	hypothetical protein	0.0156	0.0135	0.5
Schistosoma mansoni	opsin-like receptor	0.0156	0.0135	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0072	0.0028	0.2094
Echinococcus granulosus	neuropeptide FF receptor 2	0.0156	0.0135	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0156	0.0135	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0156	0.0135	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0156	0.0135	1
Brugia malayi	Dopamine receptor protein 1	0.0156	0.0135	0.5
Schistosoma mansoni	amine GPCR	0.0156	0.0135	1
Brugia malayi	ORL1-like opioid receptor	0.0156	0.0135	0.5
Echinococcus granulosus	neuropeptide receptor	0.0156	0.0135	1
Brugia malayi	Melatonin receptor type 1A	0.0156	0.0135	0.5
Brugia malayi	sulfakinin receptor protein	0.0156	0.0135	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.4 mg kg-1	Effective dose of the compound was determined in MES test in SD rat after i.v. administration	ChEMBL.	11133083
ED50 (functional)	= 0.5 mg kg-1	Dose which protected 50 % of the mice from a tonic convulsion.	ChEMBL.	11206442
ED50 (functional)	= 0.5 mg kg-1	Effective dose of the compound was determined in MES test in mouse after i.v. administration	ChEMBL.	11133083
ED50 (functional)	= 0.5 mg kg-1	Dose which protected 50 % of the mice from a tonic convulsion.	ChEMBL.	11206442
ED50 (functional)	= 0.5 mg kg-1	Effective dose of the compound was determined in MES test in mouse after i.v. administration	ChEMBL.	11133083
ED50 (functional)	= 0.8 mg kg-1	Effective dose of the compound was determined in mouse after i.p. administration	ChEMBL.	11133083
ED50 (functional)	= 0.8 mg kg-1	Effective dose of the compound was determined in mouse after i.p. administration	ChEMBL.	11133083
ED50 (functional)	= 1 mg kg-1	Effective dose of the compound was determined in MES test in mouse after s.c. administration	ChEMBL.	11133083
ED50 (functional)	= 1 mg kg-1	Effective dose of the compound was determined in MES test in SD rat after s.c. administration	ChEMBL.	11133083
ED50 (functional)	= 1 mg kg-1	Effective dose of the compound was determined in MES test in mouse after s.c. administration	ChEMBL.	11133083
ED50 (functional)	= 1.2 mg kg-1	Dose which protected 50 % of the mice from a tonic convulsion.	ChEMBL.	11206442
ED50 (functional)	= 1.2 mg kg-1	Anticonvulsant activity of the compound was determined in male CD1 mice	ChEMBL.	11133083
ED50 (functional)	= 1.2 mg kg-1	Effective dose of the compound was determined in MES test in mouse after p.o. administration	ChEMBL.	11133083
ED50 (functional)	= 1.2 mg kg-1	Dose which protected 50 % of the mice from a tonic convulsion.	ChEMBL.	11206442
ED50 (functional)	= 1.2 mg kg-1	Anticonvulsant activity of the compound was determined in male CD1 mice	ChEMBL.	11133083
ED50 (functional)	= 1.2 mg kg-1	Effective dose of the compound was determined in MES test in mouse after p.o. administration	ChEMBL.	11133083
ED50 (functional)	= 1.5 mg kg-1	Anticonvulsant activity of the compound was determined against glutamic acid receptor complex after subcutaneous administration in CD1 mouse	ChEMBL.	11133083
ED50 (functional)	= 1.5 mg kg-1	Anticonvulsant activity of the compound was determined against glutamic acid receptor complex after subcutaneous administration in CD1 mouse	ChEMBL.	11133083
ED50 (functional)	= 1.7 mg kg-1	Anticonvulsant activity of the compound was determined against GABA receptor complex after intra venous administration in CD1 mouse	ChEMBL.	11133083
ED50 (functional)	= 1.7 mg kg-1	Anticonvulsant activity of the compound was determined against GABA receptor complex after intra venous administration in CD1 mouse	ChEMBL.	11133083
ED50 (functional)	<= 2 mg kg-1	Compound was tested for the maximal electroshock effect in mice	ChEMBL.	11133083
ED50 (functional)	<= 2 mg kg-1	Compound was tested for the maximal electroshock effect in mice	ChEMBL.	11133083
ED50 (functional)	= 4.8 mg kg-1	Effective dose of the compound was determined in MES test in SD rat after p.o. administration	ChEMBL.	11133083
ED50 (functional)	~ 16 mg kg-1	Anticonvulsant activity of the compound was determined after intra peritoneal administration in CD1 mouse	ChEMBL.	11133083
ED50 (functional)	~ 16 mg kg-1	Anticonvulsant activity of the compound was determined after intra peritoneal administration in CD1 mouse	ChEMBL.	11133083
ED50 (functional)	= 25.6 mg kg-1	Dose which protected 50 % of the mice from a tonic convulsion, pretreatment was before 3 hr by i.v. administration in MES test.	ChEMBL.	11206442
ED50 (functional)	= 25.6 mg kg-1	Dose which protected 50 % of the mice from a tonic convulsion, pretreatment was before 3 hr by i.v. administration in MES test.	ChEMBL.	11206442
IC50 (binding)	= 4 nM	Binding affinity of the compound was determined against Ionotropic glutamate receptor AMPA in rat brain	ChEMBL.	11133083
IC50 (binding)	= 4 nM	Binding affinity of the compound was determined against Ionotropic glutamate receptor AMPA in rat brain	ChEMBL.	11133083
IC50 (functional)	= 5 nM	Antagonistic activity against Ionotropic glutamate receptor AMPA using kainate-evoked current in Xenopus oocytes injected with rat brain mRNA	ChEMBL.	11133083
IC50 (functional)	= 5 nM	Antagonistic activity against Ionotropic glutamate receptor AMPA using kainate-evoked current in Xenopus oocytes injected with rat brain mRNA	ChEMBL.	11133083
IC50 (binding)	= 18 nM	Affinity towards Ionotropic glutamate receptor AMPA using [3H]-AMPA as ligand on rat cortical membrane preparations	ChEMBL.	11206442
IC50 (binding)	= 18 nM	Binding affinity for Ionotropic glutamate receptor AMPA	ChEMBL.	11133083
IC50 (binding)	= 18 nM	Affinity towards Ionotropic glutamate receptor AMPA using [3H]-AMPA as ligand on rat cortical membrane preparations	ChEMBL.	11206442
IC50 (binding)	= 18 nM	Binding affinity for Ionotropic glutamate receptor AMPA	ChEMBL.	11133083
IC50 (binding)	= 7200 nM	In vitro binding affinity towards NMDA glutamate receptor using [3H]-5,7-dichlorokynurenate as ligand on rat cortical membrane preparations	ChEMBL.	11206442
IC50 (binding)	= 7200 nM	Binding affinity for N-methyl-D-aspartate glutamate receptor	ChEMBL.	11133083
IC50 (binding)	= 7200 nM	In vitro binding affinity towards NMDA glutamate receptor using [3H]-5,7-dichlorokynurenate as ligand on rat cortical membrane preparations	ChEMBL.	11206442
IC50 (binding)	= 7200 nM	Binding affinity for N-methyl-D-aspartate glutamate receptor	ChEMBL.	11133083
KB (binding)	= 5 nM	Inhibitory activtiy against Ionotropic glutamate receptor AMPA activation	ChEMBL.	11133083
Kb (binding)	= 5 nM	Inhibitory activtiy against Ionotropic glutamate receptor AMPA activation	ChEMBL.	11133083

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.

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External resources for this compound

ChEMBL: CHEMBL24980
PubChem: 10358936

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 32864