TDR Targets

Basic information

Technical information

TDR Targets ID: 107488
Name: 2-[6-nitro-2,3-dioxo-7-[3-(piperidin-1-ylmeth yl)pyrrol-1-yl]-4H-quinoxalin-1-yl]acetic aci d
MW: 427.411 | Formula: C20H21N5O6
H donors: 2 H acceptors: 6 LogP: -1.15 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cn1c2cc(n3ccc(c3)CN3CCCCC3)c(cc2[nH]c(=O)c1=O)[N+](=O)[O-]
InChi: 1S/C20H21N5O6/c26-18(27)12-24-15-9-16(17(25(30)31)8-14(15)21-19(28)20(24)29)23-7-4-13(11-23)10-22-5-2-1-3-6-22/h4,7-9,11H,1-3,5-6,10,12H2,(H,21,28)(H,26,27)
InChiKey: COZQTFPEKGKCBV-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

2-[6-nitro-2,3-dioxo-7-[3-(1-piperidylmethyl)pyrrol-1-yl]-4H-quinoxalin-1-yl]acetic acid
2-[6-nitro-2,3-dioxo-7-[3-(1-piperidylmethyl)-1-pyrrolyl]-4H-quinoxalin-1-yl]acetic acid
2-[6-nitro-2,3-dioxo-7-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-4H-quinoxalin-1-yl]ethanoic acid
2-[2,3-diketo-6-nitro-7-[3-(piperidinomethyl)pyrrol-1-yl]-4H-quinoxalin-1-yl]acetic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutamate receptor, ionotropic, kainate 1	Starlite/ChEMBL	References
Homo sapiens	glutamate receptor, ionotropic, kainate 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	NMDA receptor	Get druggable targets OG5_127034	All targets in OG5_127034
Schistosoma mansoni	glutamate receptor kainate	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Get druggable targets OG5_127034	All targets in OG5_127034
Schistosoma japonicum	Glutamate receptor delta-2 subunit precursor, putative	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	Get druggable targets OG5_127034	All targets in OG5_127034
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus granulosus	glutamate receptor ionotropic kainate	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus multilocularis	glutamate receptor ionotropic kainate	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Get druggable targets OG5_127034	All targets in OG5_127034
Schistosoma japonicum	Glutamate receptor, ionotropic kainate 1 precursor, putative	Get druggable targets OG5_127034	All targets in OG5_127034
Schistosoma japonicum	Glutamate receptor, ionotropic kainate 3 precursor, putative	Get druggable targets OG5_127034	All targets in OG5_127034
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Get druggable targets OG5_127034	All targets in OG5_127034
Schistosoma mansoni	glutamate receptor kainate	Get druggable targets OG5_127034	All targets in OG5_127034
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127034	All targets in OG5_127034

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, kainate 3	919 aa	968 aa	27.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine peptidase, putative	0.0138	0.1759	0.562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.0035	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0584	0.1405
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0116	0.1168	0.3691
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0116	0.1168	0.3763
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1759	0.5415
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0116	0.1168	0.3763
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0138	0.1759	1
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0116	0.1168	0.1136
Onchocerca volvulus		0.0138	0.1759	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0073	0.0035	0.0114
Brugia malayi	eukaryotic initiation factor 4A	0.0116	0.1168	0.3691
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0188	0.3103	1
Leishmania major	cathepsin L-like protease	0.0138	0.1759	0.6474
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0147	0.1995	0.643
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0079	0.0172	0.0794
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Plasmodium falciparum	peptide deformylase	0.0446	1	1
Brugia malayi	Cathepsin L-like precursor	0.0138	0.1759	0.562
Brugia malayi	Cathepsin L-like precursor	0.0138	0.1759	0.562
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0188	0.3103	1
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0116	0.1168	0.1013
Onchocerca volvulus		0.0138	0.1759	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Leishmania major	eukaryotic initiation factor 4a, putative	0.0116	0.1168	0.4061
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0138	0.1759	1
Echinococcus granulosus	cathepsin l1	0.0138	0.1759	0.567
Echinococcus multilocularis	NMDA receptor	0.0097	0.0668	0.2151
Onchocerca volvulus	Cathepsin F homolog	0.0138	0.1759	1
Onchocerca volvulus	Cathepsin L homolog	0.0138	0.1759	1
Loa Loa (eye worm)	fibroinase	0.0138	0.1759	0.5415
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0116	0.1168	0.3763
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0116	0.1168	0.6568
Trypanosoma cruzi	cruzipain precursor, putative	0.0138	0.1759	0.562
Entamoeba histolytica	cysteine proteinase, putative	0.0094	0.0584	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Leishmania major	cathepsin L-like protease	0.0138	0.1759	0.6474
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0097	0.0668	0.2151
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0138	0.1759	0.173
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Echinococcus multilocularis	cathepsin b	0.0188	0.3103	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0116	0.1168	0.3691
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0116	0.1168	0.3763
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Schistosoma mansoni	cathepsin F (C01 family)	0.0138	0.1759	0.567
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0097	0.0668	0.2151
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0147	0.1995	0.643
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0116	0.1168	0.4967
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.0584	0.3182
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0138	0.1759	0.567
Onchocerca volvulus		0.0138	0.1759	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Echinococcus multilocularis	cathepsin L	0.0073	0.0035	0.0114
Plasmodium vivax	RNA helicase-1, putative	0.0116	0.1168	0.1136
Echinococcus multilocularis	cathepsin b	0.0188	0.3103	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0138	0.1759	0.567
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0138	0.1759	0.173
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0079	0.0172	0.0555
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0147	0.1995	0.643
Schistosoma mansoni	glutamate receptor kainate	0.0135	0.1688	0.544
Brugia malayi	Cathepsin L-like precursor	0.0138	0.1759	0.562
Trypanosoma brucei	Peptide deformylase 2	0.017	0.2624	1
Brugia malayi	Cathepsin L-like precursor	0.0138	0.1759	0.562
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0188	0.3103	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0188	0.3103	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0138	0.1759	0.562
Leishmania major	cathepsin L-like protease	0.0138	0.1759	0.6474
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.0035	0.0114
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0116	0.1168	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0138	0.1759	0.567
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0116	0.1168	0.6568
Echinococcus granulosus	cathepsin L	0.0073	0.0035	0.0114
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0138	0.1759	0.173
Onchocerca volvulus		0.0138	0.1759	1
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0446	1	0.5
Entamoeba histolytica	cysteine protease, putative	0.0138	0.1759	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Brugia malayi	Papain family cysteine protease containing protein	0.0138	0.1759	0.562
Loa Loa (eye worm)	ctsf protein	0.0138	0.1759	0.5415
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0147	0.1995	0.643
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0079	0.0172	0.0529
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0094	0.0584	0.1788
Entamoeba histolytica	cysteine proteinase, putative	0.0138	0.1759	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Leishmania major	cathepsin L-like protease	0.0138	0.1759	0.6474
Trypanosoma cruzi	Peptide deformylase 2, putative	0.017	0.2624	0.8438
Toxoplasma gondii	hypothetical protein	0.0446	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0094	0.0584	0.1882
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0446	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Treponema pallidum	polypeptide deformylase (def)	0.0446	1	1
Plasmodium vivax	peptide deformylase, putative	0.0446	1	1
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0097	0.0668	0.2151
Leishmania major	cathepsin L-like protease	0.0138	0.1759	0.6474
Leishmania major	cathepsin L-like protease	0.0138	0.1759	0.6474
Brugia malayi	cathepsin B-like cysteine proteinase	0.0188	0.3103	1
Leishmania major	eukaryotic initiation factor 4a, putative	0.0116	0.1168	0.4061
Brugia malayi	Cathepsin L-like precursor	0.0138	0.1759	0.562
Brugia malayi	Cathepsin L-like precursor	0.0094	0.0584	0.1788
Echinococcus granulosus	cathepsin b	0.0188	0.3103	1
Trypanosoma brucei	Polypeptide deformylase 1	0.017	0.2624	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0094	0.0584	0.1788
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0584	0.1405
Onchocerca volvulus	Cathepsin L homolog	0.0138	0.1759	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0138	0.1759	0.562
Plasmodium vivax	vivapain-2	0.0138	0.1759	0.173
Leishmania major	cysteine peptidase A (CPA)	0.0138	0.1759	0.6474
Echinococcus granulosus	cysteine protease	0.0073	0.0035	0.0114
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.017	0.2624	0.8438
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.0584	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.0138	0.1759	0.562
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0116	0.1168	0.3763
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Onchocerca volvulus		0.0138	0.1759	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0147	0.1995	0.643
Loa Loa (eye worm)	hypothetical protein	0.0188	0.3103	1
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0116	0.1168	0.3763
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0584	0.1405
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0188	0.3103	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0138	0.1759	0.5415
Echinococcus granulosus	cathepsin b	0.0188	0.3103	1
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0097	0.0668	0.2151
Entamoeba histolytica	cysteine proteinase, putative	0.0138	0.1759	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0079	0.0172	0.0446
Echinococcus multilocularis	cathepsin L cysteine protease	0.0138	0.1759	0.567
Trypanosoma cruzi	Peptide deformylase 2, putative	0.017	0.2624	0.8438
Onchocerca volvulus		0.0138	0.1759	1
Mycobacterium ulcerans	peptide deformylase	0.0446	1	0.5
Brugia malayi	cathepsin L-like precursor	0.0094	0.0584	0.1788
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0138	0.1759	0.567
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.017	0.2624	0.8438
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Leishmania major	polypeptide deformylase-like protein, putative	0.017	0.2624	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0116	0.1168	0.6568
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0138	0.1759	0.567
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0446	1	1
Schistosoma mansoni	glutamate receptor kainate	0.0135	0.1688	0.544
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0116	0.1168	0.6568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1168	0.3397
Echinococcus granulosus	cathepsin l1	0.0094	0.0584	0.1882
Loa Loa (eye worm)	cysteine protease	0.0138	0.1759	0.5415
Plasmodium vivax	vivapain-2	0.0138	0.1759	0.173
Onchocerca volvulus		0.0138	0.1759	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Echinococcus multilocularis	cysteine protease	0.0138	0.1759	0.567
Brugia malayi	Cathepsin L-like precursor	0.0094	0.0584	0.1788
Toxoplasma gondii	cathepsin CPL	0.0138	0.1759	0.1615
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0138	0.1759	0.5415
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0116	0.1168	0.4375
Schistosoma mansoni	cathepsin F (C01 family)	0.0138	0.1759	0.567
Leishmania major	cathepsin L-like protease	0.0138	0.1759	0.6474
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Leishmania major	cathepsin L-like protease	0.0138	0.1759	0.6474
Echinococcus multilocularis	cysteine protease	0.0138	0.1759	0.567
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.0035	0.0114
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0138	0.1759	0.6661
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0147	0.1995	0.643
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1759	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1759	1
Brugia malayi	Cathepsin L-like precursor	0.0138	0.1759	0.562

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 330 nM	Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand	ChEMBL.	12127516
Ki (binding)	= 330 nM	Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand	ChEMBL.	12127516
Ki (binding)	= 5700 nM	Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand	ChEMBL.	12127516
Ki (binding)	= 5700 nM	Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand	ChEMBL.	12127516
Ki (binding)	= 28000 nM	Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate	ChEMBL.	12127516
Ki (binding)	= 28000 nM	Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate	ChEMBL.	12127516
Ki (binding)	> 30000 nM	Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand	ChEMBL.	12127516
Ki (binding)	> 30000 nM	Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand	ChEMBL.	12127516

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: CHEMBL303415
PubChem: 22100077

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 107488