TDR Targets

Basic information

Technical information

TDR Targets ID: 252010
Name: N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5 -yl)methyl]-2-(3-nitrophenyl)acetamide
MW: 433.213 | Formula: C17H13BrN4O5
H donors: 3 H acceptors: 7 LogP: 2.39 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1cccc(c1)[N+](=O)[O-])NCc1cc(Br)cc2c1nc(O)c(n2)O
InChi: 1S/C17H13BrN4O5/c18-11-6-10(15-13(7-11)20-16(24)17(25)21-15)8-19-14(23)5-9-2-1-3-12(4-9)22(26)27/h1-4,6-7H,5,8H2,(H,19,23)(H,20,24)(H,21,25)
InChiKey: FJKKVOAZFMLBII-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

N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-(3-nitrophenyl)ethanamide
N-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl]-2-(3-nitrophenyl)acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glutamate receptor ionotropic, AMPA	Starlite/ChEMBL	References
Rattus norvegicus	Glutamate (NMDA) receptor subunit zeta 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma mansoni	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478

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	809 aa	34.1 %
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 %
Drosophila melanogaster	Glutamate receptor IIB	Glutamate receptor ionotropic, AMPA	907 aa	863 aa	27.8 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	886 aa	34.2 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	888 aa	34.0 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	33.6 %
Echinococcus multilocularis	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	868 aa	30.4 %
Drosophila melanogaster	Glutamate receptor IA	Glutamate (NMDA) receptor subunit zeta 1	938 aa	979 aa	23.7 %
Drosophila melanogaster	NMDA receptor 2	Glutamate (NMDA) receptor subunit zeta 1	938 aa	878 aa	27.4 %
Schistosoma mansoni	glutamate receptor kainate	Glutamate receptor ionotropic, AMPA	907 aa	753 aa	33.2 %
Onchocerca volvulus	Putative 39S ribosomal protein L45, mitochondrial	Glutamate receptor ionotropic, AMPA	907 aa	799 aa	37.7 %
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 %
Onchocerca volvulus		Glutamate receptor ionotropic, AMPA	907 aa	796 aa	40.5 %
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	Glutamate (NMDA) receptor subunit zeta 1	938 aa	822 aa	23.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	somatostatin receptor	0.0083	0.2045	0.3875
Echinococcus granulosus	sex peptide receptor	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.0508	0.0973
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.2045	0.3922
Brugia malayi	GnHR receptor homolog	0.0083	0.2045	0.3073
Schistosoma mansoni	myosin xvIII	0.0083	0.2045	0.4621
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0083	0.2045	0.3875
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	amine GPCR	0.0083	0.2045	0.4621
Echinococcus granulosus	nmda type glutamate receptor	0.0167	0.5215	1
Echinococcus granulosus	g-protein coupled receptor	0.0083	0.2045	0.3922
Loa Loa (eye worm)	G-protein coupled receptor	0.0083	0.2045	0.3073
Mycobacterium ulcerans	hypothetical protein	0.0155	0.4769	1
Onchocerca volvulus		0.0083	0.2045	0.2647
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0271	0.0519
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0083	0.2045	0.3875
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0072	0.1644	0.3099
Schistosoma mansoni	amine GPCR	0.0083	0.2045	0.4621
Echinococcus multilocularis	fmrfamide receptor	0.0083	0.2045	0.3875
Onchocerca volvulus		0.0083	0.2045	0.2647
Onchocerca volvulus		0.0083	0.2045	0.2647
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0083	0.2045	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0244	0.0313
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.117	0.2045
Brugia malayi	follicle stimulating hormone receptor	0.0083	0.2045	0.3073
Echinococcus granulosus	somatostatin receptor	0.0083	0.2045	0.3922
Brugia malayi	G-protein coupled receptor	0.0083	0.2045	0.3073
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0083	0.2045	0.3922
Brugia malayi	Dopamine receptor protein 1	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0244	0.0313
Echinococcus multilocularis	g-protein coupled receptor	0.0083	0.2045	0.3875
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0683	0.0985
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.117	0.2168
Brugia malayi	Dopamine receptor protein 2	0.0083	0.2045	0.3073
Echinococcus multilocularis	neuropeptides capa receptor	0.0083	0.2045	0.3875
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.491	0.7465
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.4252	0.6456
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0083	0.2045	0.4621
Schistosoma mansoni	amine GPCR	0.0083	0.2045	0.4621
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0683	0.0424
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.117	1
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0039	0.042	0.0805
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.6564	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.0683	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0083	0.2045	0.3875
Echinococcus granulosus	biogenic amine 5HT receptor	0.0083	0.2045	0.3922
Echinococcus granulosus	nmda type glutamate receptor	0.0106	0.2907	0.5574
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Brugia malayi	RE15519p	0.0083	0.2045	0.3073
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0683	0.0985
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.0683	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0083	0.2045	0.3073
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0083	0.2045	0.3922
Echinococcus granulosus	neuropeptide FF receptor 2	0.0083	0.2045	0.3922
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	g protein coupled receptor	0.0083	0.2045	0.3875
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0271	0.0353
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0378	0.2592
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.2045	0.3922
Brugia malayi	Dopamine receptor	0.0083	0.2045	0.3073
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0083	0.2045	0.3875
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0083	0.2045	0.3922
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0052	0.0887	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Schistosoma mansoni	glutamate receptor NMDA	0.0145	0.4379	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Brugia malayi	sulfakinin receptor protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0683	0.0985
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0083	0.2045	0.4621
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.491	0.7465
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	neuropeptide Y receptor	0.0083	0.2045	0.3875
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0046	0.0683	0.0969
Schistosoma mansoni	amine GPCR	0.0083	0.2045	0.4621
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0271	0.0353
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.005	0.0808	0.1549
Onchocerca volvulus		0.0083	0.2045	0.2647
Echinococcus multilocularis	neuropeptide receptor	0.0083	0.2045	0.3875
Echinococcus multilocularis	nmda type glutamate receptor	0.0167	0.5215	1
Echinococcus multilocularis	G protein coupled receptor 139	0.0083	0.2045	0.3875
Echinococcus granulosus	7TM GPCR rhodopsin	0.0083	0.2045	0.3922
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0052	0.0887	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0683	0.5
Onchocerca volvulus		0.0083	0.2045	0.2647
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Brugia malayi	Pre-SET motif family protein	0.0203	0.6564	1
Brugia malayi	Melatonin receptor type 1A	0.0083	0.2045	0.3073
Brugia malayi	AKH receptor	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0683	0.0985
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0083	0.2045	0.3875
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.117	0.2045
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0271	0.0446
Echinococcus granulosus	neuropeptide Y receptor	0.0083	0.2045	0.3922
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.2045	0.3875
Schistosoma mansoni	hypothetical protein	0.0083	0.2045	0.4621
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.4178	0.4016
Echinococcus granulosus	g protein coupled receptor	0.0083	0.2045	0.3922
Schistosoma mansoni	neuropeptide receptor	0.0083	0.2045	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0378	0.5
Echinococcus multilocularis	serotonin receptor	0.0083	0.2045	0.3875
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0083	0.2045	0.4621
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Onchocerca volvulus		0.0083	0.2045	0.2647
Onchocerca volvulus		0.0083	0.2045	0.2647
Loa Loa (eye worm)	TYRA-2 protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus granulosus	lysosomal alpha glucosidase	0.0159	0.491	0.9415
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.2045	0.3922
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.2045	0.3875
Schistosoma mansoni	glutamate receptor AMPA	0.0039	0.042	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0683	0.0969
Echinococcus multilocularis	g protein coupled receptor	0.0083	0.2045	0.3875
Echinococcus multilocularis	dro:myosuppressin receptor	0.0083	0.2045	0.3875
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0083	0.2045	0.3073
Brugia malayi	G-protein coupled receptor	0.0083	0.2045	0.3073
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0083	0.2045	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	neuropeptide F receptor	0.0083	0.2045	0.3073
Brugia malayi	Serotonin receptor	0.0083	0.2045	0.3073
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0083	0.2045	0.4621
Echinococcus granulosus	neuropeptide receptor A26	0.0083	0.2045	0.3922
Echinococcus granulosus	biogenic amine 5HT receptor	0.0083	0.2045	0.3922
Brugia malayi	putative neuropeptide receptor NPR1	0.0083	0.2045	0.3073
Echinococcus multilocularis	orexin receptor type 2	0.0083	0.2045	0.3875
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.2045	0.3922
Echinococcus granulosus	dro:myosuppressin receptor	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus granulosus	neuropeptide receptor	0.0083	0.2045	0.3922
Brugia malayi	larval opioid receptor	0.0083	0.2045	0.3073
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.2045	0.3875
Loa Loa (eye worm)	glutamate receptor 1	0.0039	0.042	0.0582
Brugia malayi	G protein-coupled receptor	0.0083	0.2045	0.3073
Echinococcus granulosus	neuropeptide Y receptor	0.0083	0.2045	0.3922
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.117	0.2183
Onchocerca volvulus		0.0083	0.2045	0.2647
Onchocerca volvulus		0.0083	0.2045	0.2647
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0083	0.2045	0.3073
Schistosoma mansoni	glutamate receptor kainate	0.0039	0.042	0.0875
Echinococcus granulosus	neuropeptides capa receptor	0.0083	0.2045	0.3922
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	glutamate receptor 2	0.0039	0.042	0.0582
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0842	0.0587
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Schistosoma mansoni	neuropeptide receptor	0.0083	0.2045	0.4621
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.2519	0.479
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0502	0.0237
Schistosoma mansoni	histamine h1 receptor	0.0083	0.2045	0.4621
Echinococcus granulosus	g protein coupled receptor	0.0083	0.2045	0.3922
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.117	0.2604
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.005	0.0808	0.1484
Echinococcus multilocularis	nmda type glutamate receptor	0.0106	0.2907	0.5539
Schistosoma mansoni	neuropeptide F-like receptor	0.0083	0.2045	0.4621
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0683	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Brugia malayi	ORL1-like opioid receptor	0.0083	0.2045	0.3073
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0083	0.2045	0.2647
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	neuropeptide f receptor 76f	0.0083	0.2045	0.4621
Loa Loa (eye worm)	acetyltransferase	0.0141	0.4252	0.6456
Onchocerca volvulus		0.0083	0.2045	0.2647
Loa Loa (eye worm)	neuropeptide F receptor	0.0083	0.2045	0.3073
Onchocerca volvulus		0.0083	0.2045	0.2647
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0083	0.2045	0.4621
Schistosoma mansoni	opsin-like receptor	0.0083	0.2045	0.4621
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0083	0.2045	0.4621
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0083	0.2045	0.3073
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0083	0.2045	0.3875
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.004	0.0077
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0046	0.0683	0.0969
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0083	0.2045	0.3875
Echinococcus granulosus	serotonin receptor	0.0083	0.2045	0.3922
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0083	0.2045	0.3073
Echinococcus granulosus	allatostatin A receptor	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.117	0.2045
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0683	0.0985
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	1	1
Brugia malayi	neuropeptide F receptor	0.0083	0.2045	0.3073
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0083	0.2045	0.3875
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Schistosoma mansoni	glutamate receptor NMDA	0.0039	0.042	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0039	0.042	0.0734
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0683	0.0969
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0083	0.2045	0.4621
Echinococcus granulosus	hypothetical protein	0.0083	0.2045	0.3922
Echinococcus granulosus	glutamate receptor 2	0.0029	0.0051	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0244	0.0313
Echinococcus multilocularis	allatostatin A receptor	0.0083	0.2045	0.3875
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0244	0.4368
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0683	0.0424
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.014	0.4178	0.4016
Schistosoma mansoni	ATP-binding cassette transporter	0.0039	0.042	0.0875
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.0508	0.0322
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0052	0.0887	0.5
Brugia malayi	Glutamate receptor 1 precursor	0.0039	0.042	0.0582
Echinococcus granulosus	tm gpcr rhodopsin	0.0083	0.2045	0.3922
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0083	0.2045	0.3073
Brugia malayi	neuropeptide F receptor	0.0083	0.2045	0.3073
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0244	0.0154
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.491	0.9411
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus granulosus	g protein coupled receptor	0.0083	0.2045	0.3922
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0083	0.2045	0.2647
Schistosoma mansoni	alpha-glucosidase	0.0137	0.408	0.9311
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.2045	0.3875
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	serotonin receptor	0.0083	0.2045	0.3875
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.0508	0.4137
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.491	0.9411
Echinococcus multilocularis	g protein coupled receptor	0.0083	0.2045	0.3875
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.2045	0.3922
Onchocerca volvulus		0.0083	0.2045	0.2647
Brugia malayi	G protein-coupled receptor F59B2.13	0.0083	0.2045	0.3073
Echinococcus multilocularis	glutamate receptor 2	0.0029	0.0051	0.0021
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0083	0.2045	0.4621
Echinococcus granulosus	glutamate receptor 2	0.005	0.0808	0.1549
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0244	0.0313
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Echinococcus granulosus	7tm_1 domain containing protein	0.0083	0.2045	0.3922
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0083	0.2045	0.4621
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0083	0.2045	0.3875
Echinococcus granulosus	neuropeptide s receptor	0.0083	0.2045	0.3922
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0683	0.0985
Echinococcus multilocularis	neuropeptide receptor A26	0.0083	0.2045	0.3875
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.2045	0.3875
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0083	0.2045	0.4621
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0378	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0083	0.2045	0.3922
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0083	0.2045	0.3922
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0083	0.2045	0.4621
Echinococcus granulosus	orexin receptor type 2	0.0083	0.2045	0.3922
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.005	0.0808	0.1484
Schistosoma mansoni	opsin-like receptor	0.0083	0.2045	0.4621
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.117	0.2243
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0083	0.2045	0.4621
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0052	0.0887	0.1553
Schistosoma mansoni	amine GPCR	0.0083	0.2045	0.4621
Schistosoma mansoni	biogenic amine receptor	0.0083	0.2045	0.4621
Schistosoma mansoni	neuropeptide receptor	0.0083	0.2045	0.4621
Echinococcus granulosus	neuropeptides capa receptor	0.0083	0.2045	0.3922
Echinococcus multilocularis	neuropeptides capa receptor	0.0083	0.2045	0.3875
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.2045	0.3875
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0244	0.0313
Chlamydia trachomatis	glutamine binding protein	0.0052	0.0887	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0046	0.0683	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0083	0.2045	0.3875
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0083	0.2045	0.3875
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0046	0.0683	0.0969
Entamoeba histolytica	acyl-coA synthetase, putative	0.0046	0.0683	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0083	0.2045	0.3875
Onchocerca volvulus		0.0231	0.7616	1
Echinococcus multilocularis	glutamate receptor 2	0.0039	0.042	0.0734
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.0508	0.4137
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0683	0.0969
Schistosoma mansoni	alpha glucosidase	0.0035	0.0271	0.0531
Onchocerca volvulus		0.0046	0.0683	0.0848
Echinococcus granulosus	tm gpcr rhodopsin	0.0083	0.2045	0.3922
Loa Loa (eye worm)	G-protein coupled receptor	0.0083	0.2045	0.3073
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0083	0.2045	0.3875
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.117	0.2604
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0502	0.0237
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0683	0.0969
Echinococcus granulosus	fmrfamide receptor	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.2519	0.483
Echinococcus granulosus	tm gpcr rhodopsin	0.0083	0.2045	0.3922
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0271	0.2041
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.0508	0.0322
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0083	0.2045	0.3922
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.2045	0.3875
Schistosoma mansoni	glutamate receptor kainate	0.0039	0.042	0.0875
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0083	0.2045	0.4621
Brugia malayi	Serotonin receptor	0.0083	0.2045	0.3073
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.005	0.0808	0.1549
Onchocerca volvulus		0.0083	0.2045	0.2647
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.4252	0.9707
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0083	0.2045	0.4621
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.005	0.0808	0.1484
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.0508	1
Schistosoma mansoni	hypothetical protein	0.0083	0.2045	0.4621
Onchocerca volvulus		0.0083	0.2045	0.2647
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0083	0.2045	0.3875
Brugia malayi	Glutamate receptor 2 precursor	0.0039	0.042	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Onchocerca volvulus		0.0092	0.2396	0.311
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0046	0.0683	0.0969
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0083	0.2045	0.4621
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0502	0.0237
Brugia malayi	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	glutamate receptor 2	0.005	0.0808	0.1484
Schistosoma mansoni	biogenic amine receptor	0.0083	0.2045	0.4621
Schistosoma mansoni	glutamate receptor kainate	0.0039	0.042	0.0875
Onchocerca volvulus		0.0083	0.2045	0.2647
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.4103	0.7868
Echinococcus multilocularis	neuropeptide s receptor	0.0083	0.2045	0.3875
Echinococcus multilocularis	neuropeptide receptor	0.0083	0.2045	0.3875
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	glutamate receptor AMPA	0.0039	0.042	0.0875
Schistosoma mansoni	adenoreceptor	0.0083	0.2045	0.4621
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0083	0.2045	0.3875
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.005	0.0808	0.1549
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0083	0.2045	0.3875
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.117	0.0924
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0083	0.2045	0.3922
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Loa Loa (eye worm)	melatonin receptor type 1A	0.0083	0.2045	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Onchocerca volvulus		0.0083	0.2045	0.2647
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0683	0.0424
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.005	0.0808	0.1484
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0046	0.0683	0.1109
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0083	0.2045	0.3073
Schistosoma mansoni	neuropeptide receptor	0.0083	0.2045	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	opsin-like receptor	0.0083	0.2045	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	neuropeptide F-like receptor	0.0083	0.2045	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	hypothetical protein	0.0083	0.2045	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Schistosoma mansoni	alpha-glucosidase	0.0137	0.408	0.9311
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2045	0.3073
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0083	0.2045	0.3875
Schistosoma mansoni	growth hormone secretagogue receptor	0.0083	0.2045	0.4621
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0052	0.0887	0.1421
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.4252	0.8139
Echinococcus multilocularis	sex peptide receptor	0.0083	0.2045	0.3875
Toxoplasma gondii	hypothetical protein	0.0048	0.073	0.611
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0295	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0083	0.2045	0.3922
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0083	0.2045	0.3875
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.005	0.0808	0.1549
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.7616	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0083	0.2045	0.3073
Echinococcus granulosus	neuropeptide receptor	0.0083	0.2045	0.3922
Schistosoma mansoni	hypothetical protein	0.0083	0.2045	0.4621
Echinococcus multilocularis	fmrfamide receptor	0.0083	0.2045	0.3875
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.4178	0.4016
Schistosoma mansoni	biogenic amine receptor	0.0083	0.2045	0.4621
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.4769	1
Brugia malayi	putative neuropeptide receptor	0.0083	0.2045	0.3073
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0502	0.0237
Onchocerca volvulus		0.0083	0.2045	0.2647

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.04 uM	In vitro binding assay for the displacement of [3H]-MDL-105,519 from the glycine-site of NMDA receptors	ChEMBL.	9871605
IC50 (binding)	= 0.04 uM	In vitro binding assay for the displacement of [3H]-MDL-105,519 from the glycine-site of NMDA receptors	ChEMBL.	9871605
IC50 (binding)	> 10 uM	In vitro binding assay for the displacement of [3H]-AMPA from AMPA receptor	ChEMBL.	9871605
IC50 (binding)	> 10 uM	In vitro binding assay for the displacement of [3H]-AMPA from AMPA receptor	ChEMBL.	9871605

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: CHEMBL147855
PubChem: 18706300

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 252010