TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 308.717 | Formula: C14H13ClN2O4
H donors: 2 H acceptors: 4 LogP: 1.65 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CC1[C@@H](C)Cc2c3n1c(=O)c(=O)[nH]c3cc(c2)Cl
InChi: 1S/C14H13ClN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10?/m0/s1
InChiKey: OQRLRDJMCPBHGC-UOQJWNSWSA-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 subunit zeta 1	Starlite/ChEMBL	No 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
Echinococcus granulosus	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	nmda type glutamate receptor	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 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
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 mansoni	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	expressed protein	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
Drosophila melanogaster	Glutamate receptor IA	Glutamate (NMDA) receptor subunit zeta 1	938 aa	979 aa	23.7 %
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	Glutamate (NMDA) receptor subunit zeta 1	938 aa	822 aa	23.2 %
Drosophila melanogaster	NMDA receptor 2	Glutamate (NMDA) receptor subunit zeta 1	938 aa	878 aa	27.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0845	0.1295
Schistosoma mansoni	serine/threonine protein kinase	0.0142	0.2783	0.4263
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0142	0.2783	0.4263
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.1656	0.1656
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0641	0.0981
Schistosoma mansoni	serine/threonine protein kinase	0.0142	0.2783	0.4263
Echinococcus multilocularis	nmda type glutamate receptor	0.01	0.1725	0.2643
Brugia malayi	isocitrate dehydrogenase	0.0031	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0032	0.0024	0.0024
Echinococcus granulosus	nmda type glutamate receptor	0.01	0.1725	0.2643
Schistosoma mansoni	serine/threonine protein kinase	0.0142	0.2783	0.4263
Echinococcus multilocularis	protein kinase c epsilon type	0.0142	0.2783	0.4263
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0142	0.2783	0.4263
Schistosoma mansoni	serine/threonine kinase	0.0142	0.2783	0.4263
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0459	0.0459
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.0001	0.0002
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0183	0.3801	0.3376
Echinococcus multilocularis	nervana 2	0.0273	0.6041	0.9255
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0142	0.2783	0.4263
Echinococcus multilocularis	protein kinase c iota type	0.0142	0.2783	0.4263
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0431	1	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0183	0.3801	0.3376
Trichomonas vaginalis	AGC family protein kinase	0.0431	1	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0183	0.3801	0.3376
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0142	0.2783	0.2783
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0127	0.2393	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0142	0.2783	0.4263
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0142	0.2783	0.4263
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0183	0.3801	0.5
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0142	0.2783	0.2783
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0139	0.2706	0.2206
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0031	0.0001	0.0001
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0641	0.0981
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0276	0.6118	1
Schistosoma mansoni	serine/threonine protein kinase	0.0142	0.2783	0.4263
Entamoeba histolytica	protein kinase, putative	0.0431	1	1
Onchocerca volvulus		0.0183	0.3801	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0159	0.3192	0.2726
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0183	0.3801	0.3801
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0845	0.1293
Echinococcus granulosus	serine threonine protein kinase nrc	0.0276	0.6118	0.9372
Entamoeba histolytica	protein kinase 2, putative	0.0276	0.6118	0.5759
Trichomonas vaginalis	AGC family protein kinase	0.0142	0.2783	0.2288
Echinococcus granulosus	Glutaredoxin protein 5	0.0273	0.6041	0.9255
Echinococcus multilocularis	serine threonine protein kinase	0.0142	0.2783	0.4263
Echinococcus granulosus	protein kinase C gamma type	0.0142	0.2783	0.4263
Trichomonas vaginalis	AGC family protein kinase	0.0431	1	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1656	0.1656
Trypanosoma cruzi	Protein kinase B	0.0292	0.6527	1
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0845	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0142	0.2783	0.4263
Brugia malayi	p70 ribosomal S6 kinase beta	0.0415	0.959	0.959
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0166	0.0255
Trichomonas vaginalis	AGC family protein kinase	0.0431	1	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0142	0.2783	0.4263
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0183	0.3801	0.3376
Schistosoma mansoni	serine/threonine protein kinase	0.0142	0.2783	0.4263
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0031	0.0001	0.0002
Brugia malayi	protein kinase C II.	0.0142	0.2783	0.2783
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0292	0.6527	0.6207
Trichomonas vaginalis	AGC family protein kinase	0.0431	1	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0292	0.6527	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0142	0.2783	0.4263
Echinococcus granulosus	NDR protein kinase	0.0142	0.2783	0.4263
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0031	0.0001	0.0002
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0183	0.3801	0.3376
Trichomonas vaginalis	AGC family protein kinase	0.0142	0.2783	0.2288
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.0001	0.0002
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0032	0.0031	0.0047
Entamoeba histolytica	protein kinase, putative	0.0415	0.959	0.9552
Echinococcus granulosus	nmda type glutamate receptor	0.0127	0.2408	0.3689
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0276	0.6118	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0459	0.0748
Echinococcus granulosus	nervana 2	0.0273	0.6041	0.9255
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0845	0.1295
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.161	0.2467
Schistosoma mansoni	serine/threonine-protein kinase	0.0292	0.6527	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0431	1	1
Leishmania major	hypothetical protein, conserved	0.0056	0.0641	0.7583
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0845	0.1295
Echinococcus multilocularis	Glutaredoxin protein 5	0.0273	0.6041	0.9255
Echinococcus granulosus	serine/threonine protein kinase	0.0292	0.6527	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0845	0.0845
Plasmodium vivax	ataxin-2 like protein, putative	0.0049	0.0459	0.0748
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.161	0.2467
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0183	0.3801	0.3376
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0845	0.0845
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0031	0.0001	0.0002
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0845	0.0844
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0273	0.6041	0.9255
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0142	0.2783	0.2783
Echinococcus granulosus	protein kinase c iota type	0.0142	0.2783	0.4263
Giardia lamblia	Kinase, AGC PKA	0.0276	0.6118	1
Schistosoma mansoni	glutamate receptor NMDA	0.0109	0.1949	0.2986
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0459	0.0748
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0166	0.0255
Toxoplasma gondii	LsmAD domain-containing protein	0.0049	0.0459	0.0477
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0142	0.2783	0.4263
Loa Loa (eye worm)	hypothetical protein	0.0142	0.2783	0.2783
Trichomonas vaginalis	AGC family protein kinase	0.0142	0.2783	0.2288
Schistosoma mansoni	hypothetical protein	0.0066	0.089	0.1363
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0845	0.1293
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.0001	0.0002
Brugia malayi	Hr1 repeat family protein	0.0142	0.2783	0.2783
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0142	0.2783	0.4263
Schistosoma mansoni	serine/threonine protein kinase	0.0142	0.2783	0.4263
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0459	0.0701
Brugia malayi	Protein kinase domain containing protein	0.0142	0.2783	0.2783
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0459	0.0701
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0056	0.0641	0.064
Brugia malayi	Isocitrate dehydrogenase	0.0031	0.0001	0.0001
Trypanosoma brucei	PAB1-binding protein , putative	0.0049	0.0459	0.0457
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0276	0.6118	0.9372
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.089	0.089
Echinococcus multilocularis	nervana 2	0.0273	0.6041	0.9255
Trichomonas vaginalis	AGC family protein kinase	0.0431	1	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0292	0.6527	1
Toxoplasma gondii	AGC kinase	0.0415	0.959	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0183	0.3801	0.3228
Brugia malayi	hypothetical protein	0.0049	0.0459	0.0459
Echinococcus granulosus	nervana 2	0.0273	0.6041	0.9255
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0142	0.2783	0.4263
Schistosoma mansoni	atypical protein kinase C	0.0142	0.2783	0.4263
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.1656	0.1656
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0142	0.2783	0.2783
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0142	0.2783	0.2783
Trichomonas vaginalis	AGC family protein kinase	0.0431	1	1
Leishmania major	hypothetical protein, conserved	0.0049	0.0459	0.5418
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0142	0.2783	0.2783
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0183	0.3801	0.3228
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0292	0.6527	0.6207
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0415	0.959	0.959
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0183	0.3801	0.3801
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0142	0.2783	0.4263
Echinococcus granulosus	protein kinase c epsilon type	0.0142	0.2783	0.4263
Trichomonas vaginalis	AGC family protein kinase	0.0431	1	1
Brugia malayi	Protein kinase domain containing protein	0.0142	0.2783	0.2783
Echinococcus multilocularis	isocitrate dehydrogenase	0.0031	0.0001	0.0002
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0276	0.6118	0.9372
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0292	0.6527	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0276	0.6118	0.9372
Entamoeba histolytica	protein kinase, putative	0.0431	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.1656	0.1656
Entamoeba histolytica	protein kinase, putative	0.0142	0.2783	0.2116
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0273	0.6041	0.9255
Echinococcus multilocularis	nmda type glutamate receptor	0.0127	0.2408	0.3689
Schistosoma mansoni	serine/threonine protein kinase	0.0142	0.2783	0.4263
Loa Loa (eye worm)	hypothetical protein	0.0066	0.089	0.089

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 4.4 nM	Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand	ChEMBL.	No reference
Ki (binding)	= 4.4 nM	Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand	ChEMBL.	No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 54120