TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.315 | Formula: C18H13N3O2
H donors: 0 H acceptors: 1 LogP: 3.36 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)C1=Nn2ccnc2Cc2c1cc1OCOc1c2
InChi: 1S/C18H13N3O2/c1-2-4-12(5-3-1)18-14-10-16-15(22-11-23-16)8-13(14)9-17-19-6-7-21(17)20-18/h1-8,10H,9,11H2
InChiKey: QCUAZEXGJRWDMG-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 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 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 %
Drosophila melanogaster	Glutamate receptor IIB	Glutamate receptor ionotropic, AMPA	907 aa	863 aa	27.8 %
Drosophila melanogaster	NMDA receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	789 aa	22.1 %
Drosophila melanogaster	Glutamate receptor IA	Glutamate receptor ionotropic, AMPA	907 aa	900 aa	40.6 %
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	948 aa	30.6 %
Onchocerca volvulus	Putative 39S ribosomal protein L45, mitochondrial	Glutamate receptor ionotropic, AMPA	907 aa	799 aa	37.7 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	888 aa	34.0 %
Schistosoma mansoni	glutamate receptor kainate	Glutamate receptor ionotropic, AMPA	907 aa	753 aa	33.2 %
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 %
Echinococcus multilocularis	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	868 aa	30.4 %
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 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	886 aa	34.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	dna polymerase kappa	0.0038	0.0963	0.0934
Trypanosoma brucei	unspecified product	0.0038	0.0963	0.246
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0963	1
Leishmania major	hexokinase, putative	0.0079	0.3799	1
Brugia malayi	Glutamate receptor 1 precursor	0.003	0.0415	0.1091
Trypanosoma brucei	hexokinase, putative	0.0079	0.3799	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0816	0.0786
Echinococcus granulosus	nmda type glutamate receptor	0.004	0.1089	0.1059
Trypanosoma brucei	unspecified product	0.0026	0.0136	0.0259
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0136	0.0259
Leishmania major	DNA polymerase eta, putative	0.0037	0.0884	0.2249
Schistosoma mansoni	DNA polymerase eta	0.0063	0.2723	0.2408
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1741	0.4582
Treponema pallidum	hexokinase (hxk)	0.0079	0.3799	1
Echinococcus granulosus	hexokinase	0.0079	0.3799	0.3778
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.0884	0.2249
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1741	0.4582
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0038	0.0963	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0038	0.0963	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0816	0.0786
Echinococcus multilocularis	hexokinase	0.0079	0.3799	0.3778
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0038	0.0963	1
Loa Loa (eye worm)	hexokinase	0.0049	0.1749	0.4604
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0816	0.0786
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0816	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0651	0.1715
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0136	0.0259
Echinococcus multilocularis	geminin	0.0167	1	1
Echinococcus multilocularis	dna polymerase eta	0.0063	0.2723	0.2699
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0038	0.0963	0.2536
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Leishmania major	hexokinase, putative	0.0079	0.3799	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0047	0.0123
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Echinococcus multilocularis	glutamate receptor 2	0.003	0.0415	0.0383
Trypanosoma cruzi	DNA polymerase eta, putative	0.0063	0.2723	0.7138
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1741	0.4582
Brugia malayi	ImpB/MucB/SamB family protein	0.0063	0.2723	0.7168
Chlamydia trachomatis	glutamine binding protein	0.0029	0.0306	0.5
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0036	0.0816	0.0786
Trypanosoma brucei	unspecified product	0.0026	0.0136	0.0259
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.0884	0.2249
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Schistosoma mansoni	hypothetical protein	0.0034	0.0651	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0063	0.2723	0.7168
Loa Loa (eye worm)	hexokinase type II	0.0079	0.3799	1
Loa Loa (eye worm)	glutamate receptor 2	0.003	0.0415	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0047	0.0123
Brugia malayi	hypothetical protein	0.0025	0.0039	0.0102
Loa Loa (eye worm)	hexokinase	0.0079	0.3799	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0651	0.1715
Echinococcus granulosus	dna polymerase kappa	0.0038	0.0963	0.0934
Toxoplasma gondii	hexokinase	0.0079	0.3799	1
Onchocerca volvulus		0.0079	0.3799	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0038	0.0963	0.0573
Echinococcus multilocularis	glutamate receptor 2	0.0036	0.0816	0.0786
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0816	0.0786
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0029	0.0306	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1741	0.4582
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0036	0.0816	0.0786
Brugia malayi	Hexokinase family protein	0.0079	0.3799	1
Echinococcus granulosus	glutamate receptor 2	0.0036	0.0816	0.0786
Leishmania major	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Schistosoma mansoni	hypothetical protein	0.0167	1	1
Echinococcus granulosus	hexokinase	0.0079	0.3799	0.3778
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Echinococcus multilocularis	nmda type glutamate receptor	0.004	0.1089	0.1059
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.004	0.1089	0.1059
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0038	0.0963	0.0934
Schistosoma mansoni	glutamate receptor NMDA	0.0036	0.0816	0.0419
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0038	0.0963	0.0573
Entamoeba histolytica	hexokinase 1	0.0079	0.3799	1
Echinococcus multilocularis	hexokinase	0.0079	0.3799	0.3778
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Plasmodium falciparum	hexokinase	0.0079	0.3799	1
Echinococcus granulosus	hexokinase	0.0079	0.3799	0.3778
Onchocerca volvulus		0.0079	0.3799	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Trypanosoma cruzi	hexokinase, putative	0.0079	0.3799	1
Loa Loa (eye worm)	glutamate receptor 1	0.003	0.0415	0.1091
Onchocerca volvulus		0.0079	0.3799	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0038	0.0963	0.246
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0816	0.0786
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.003	0.0415	0.0383
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Trypanosoma brucei	DNA polymerase eta, putative	0.0063	0.2723	0.7138
Trypanosoma cruzi	hexokinase, putative	0.0079	0.3799	1
Schistosoma mansoni	hypothetical protein	0.0167	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0963	0.246
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0963	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0963	0.246
Echinococcus granulosus	glutamate NMDA receptor subunit	0.003	0.0415	0.0383
Leishmania major	DNA polymerase eta, putative	0.0063	0.2723	0.7138
Brugia malayi	hexokinase type II	0.0025	0.0047	0.0123
Brugia malayi	ImpB/MucB/SamB family protein	0.0038	0.0963	0.2536
Echinococcus multilocularis	hexokinase	0.0079	0.3799	0.3778
Schistosoma mansoni	hexokinase	0.0079	0.3799	0.353
Echinococcus granulosus	hexokinase type 2	0.0079	0.3799	0.3778
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0038	0.0963	0.5
Giardia lamblia	DINP protein human, muc B family	0.0038	0.0963	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0963	0.246
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0963	0.246
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0039	0.0102
Trypanosoma brucei	hexokinase	0.0079	0.3799	1
Brugia malayi	Hexokinase family protein	0.0049	0.1749	0.4604
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0136	0.0259
Brugia malayi	Glutamate receptor 2 precursor	0.003	0.0415	0.1091
Echinococcus multilocularis	hexokinase type 2	0.0079	0.3799	0.3778
Brugia malayi	hexokinase	0.0079	0.3799	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.205	0.5396
Entamoeba histolytica	hexokinase 2	0.0079	0.3799	1
Echinococcus granulosus	dna polymerase eta	0.0063	0.2723	0.2699
Plasmodium vivax	hexokinase, putative	0.0079	0.3799	1
Trypanosoma brucei	hexokinase	0.0079	0.3799	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0038	0.0963	0.0934
Loa Loa (eye worm)	hexokinase	0.0079	0.3799	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.5 uM	In vitro inhibition of AMPA receptor mediated currents in primary cultured rat fetal hippocampal neurons	ChEMBL.	15999999
IC50 (binding)	= 6.5 uM	In vitro inhibition of AMPA receptor mediated currents in primary cultured rat fetal hippocampal neurons	ChEMBL.	15999999

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

PubChem: 11289664

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 333245