TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.795 | Formula: C16H22ClN4O7P
H donors: 5 H acceptors: 9 LogP: -0.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Oc1nc2c(cc(cc2nc1O)[N+](=O)[O-])C(P(=O)(O)O)NCC1CCCCC1.Cl
InChi: 1S/C16H21N4O7P.ClH/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9;/h6-7,9,16-17H,1-5,8H2,(H,18,21)(H,19,22)(H2,25,26,27);1H
InChiKey: BPJHFWNGTXSIDK-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
Homo sapiens	glutamate receptor, ionotropic, N-methyl D-aspartate 2B		References
Homo sapiens	glutamate receptor, ionotropic, N-methyl D-aspartate 1		References
Homo sapiens	glutamate receptor, ionotropic, N-methyl-D-aspartate 3B		References
Homo sapiens	glutamate receptor, ionotropic, N-methyl-D-aspartate 3A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	glutamate NMDA receptor subunit	Get druggable targets OG5_129290	All targets in OG5_129290
Schistosoma japonicum	expressed protein	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
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	ko:K05314 glutamate receptor, ionotropic, N-methyl-D-aspartate 2, invertebrate, putative	Get druggable targets OG5_129290	All targets in OG5_129290
Schistosoma mansoni	glutamate receptor NMDA	Get druggable targets OG5_129290	All targets in OG5_129290
Echinococcus multilocularis	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	Get druggable targets OG5_129290	All targets in OG5_129290
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 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 granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0041	0.0316	0.0316
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0138	0.1566	0.1566
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0418	0.122
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0415	0.2045
Schistosoma mansoni	hypothetical protein	0.002	0.0046	0.0135
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0138	0.1566	0.1566
Schistosoma mansoni	glutamate receptor AMPA	0.0129	0.1448	0.423
Echinococcus granulosus	zinc finger protein	0.0019	0.0033	0.0143
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0251	0.5508
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0285	0.9035
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0385	0.0385
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0006
Echinococcus multilocularis	nmda type glutamate receptor	0.0104	0.1129	0.1129
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0312	0.379	1
Schistosoma mansoni	pyruvate kinase	0.0017	0.0003	0.0009
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0251	0.0732
Schistosoma mansoni	glutamate receptor kainate	0.0129	0.1448	0.423
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0058	0.0529	0.0529
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.0208	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0138	0.1566	0.6796
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0468	0.2032
Echinococcus granulosus	protein kinase C gamma type	0.0051	0.0448	0.1943
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0312	0.379	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0418	0.2055
Echinococcus multilocularis	zinc finger protein	0.0019	0.0033	0.0033
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.1011	0.4387
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0316	0.1556
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0217	0.1067
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0385	0.1673
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0001	0.0001
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0175	0.2031	1
Schistosoma mansoni	hypothetical protein	0.0283	0.3422	1
Echinococcus multilocularis	glutamate receptor 2	0.0138	0.1566	0.1566
Loa Loa (eye worm)	inositol-1	0.0036	0.0251	0.1233
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0285	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0251	0.012
Trypanosoma brucei	glucosidase, putative	0.0039	0.0285	0.0337
Echinococcus multilocularis	nmda type glutamate receptor	0.0143	0.1625	0.1625
Schistosoma mansoni	hypothetical protein	0.0048	0.0402	0.1174
Loa Loa (eye worm)	hypothetical protein	0.004	0.0298	0.1468
Schistosoma mansoni	hypothetical protein	0.0033	0.0217	0.0633
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0418	0.0418
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0251	0.5508
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0251	0.7494
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0322	0.1586
Trypanosoma brucei	RNA helicase, putative	0.0213	0.2518	1
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0119	0.0119
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.1011	0.1011
Schistosoma mansoni	serine/threonine protein kinase	0.0058	0.0529	0.1545
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0175	0.2031	1
Schistosoma mansoni	glutamate receptor NMDA	0.0196	0.2304	0.6732
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0674	0.3318
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0138	0.1566	0.1566
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0415	0.2045
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0418	0.122
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0208	0.1022
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0001	0.0006
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0251	0.5508
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0251	0.0186
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0001	0.0004
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0138	0.1566	0.1566
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0208	0.0208
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0285	0.1405
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0312	0.379	1
Echinococcus granulosus	glutamate receptor 2	0.0138	0.1566	0.6796
Loa Loa (eye worm)	glutamate receptor 1	0.0129	0.1448	0.7126
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0385	0.1897
Loa Loa (eye worm)	glutamate receptor 2	0.0129	0.1448	0.7126
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0208	0.7243
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0385	0.1673
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0285	1
Echinococcus granulosus	glutamate receptor 2	0.0091	0.0951	0.413
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0238	0.0238
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0312	0.379	1
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0312	0.379	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0468	0.2305
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0312	0.379	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0238	0.1033
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0385	0.2026
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0196	0.2304	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0285	0.0285
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.007	0.0205
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0043	0.0335	0.1651
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0048	0.0402	0.0402
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0468	0.1368
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0251	0.0732
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0251	0.0251
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0208	0.1022
Onchocerca volvulus		0.0047	0.0385	0.2026
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0208	0.1022
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0385	0.1126
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.007	0.007
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0208	0.1022
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0251	0.8762
Schistosoma mansoni	glutamate receptor kainate	0.0129	0.1448	0.423
Schistosoma mansoni	glutamate receptor kainate	0.0129	0.1448	0.423
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0418	0.2055
Schistosoma mansoni	pyruvate kinase	0.0033	0.0208	0.0607
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0285	0.9035
Echinococcus multilocularis	serine threonine protein kinase	0.0051	0.0448	0.0448
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0048	0.0402	0.1744
Brugia malayi	Protein kinase c protein 2	0.0049	0.0417	0.205
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0468	0.0468
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0312	0.379	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0468	0.0468
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0048	0.0402	0.0402
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0048	0.0402	0.1744
Schistosoma mansoni	alpha-glucosidase	0.015	0.1719	0.5023
Schistosoma mansoni	alpha glucosidase	0.0039	0.0285	0.0834
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0048	0.0402	0.0402
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0138	0.1566	0.6796
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0397	0.1955
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0285	1
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0014
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0001	0.0001
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0183	0.2144	0.2144
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0001	0.0004
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0208	0.0208
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0418	0.0418
Brugia malayi	mbt repeat family protein	0.0047	0.0385	0.1897
Schistosoma mansoni	serine/threonine protein kinase	0.0058	0.0529	0.1545
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0138	0.1566	0.6796
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0183	0.2144	0.9305
Schistosoma mansoni	ATP-binding cassette transporter	0.0129	0.1448	0.423
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0415	0.2045
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0001	0.0006
Echinococcus granulosus	nmda type glutamate receptor	0.0104	0.1129	0.49
Echinococcus multilocularis	glutamate receptor 2	0.0091	0.0951	0.0951
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0285	0.1239
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0175	0.2031	0.2031
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0001	0.0004
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0039	0.0285	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0285	1
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0048	0.0402	0.0402
Echinococcus granulosus	Protein kinase C brain isozyme	0.0058	0.0529	0.2295
Schistosoma mansoni	pyruvate kinase	0.0033	0.0208	0.0607
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0009	0.0044
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0251	0.5508
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0418	0.122
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0138	0.1566	0.6796
Brugia malayi	mbt repeat family protein	0.0047	0.0385	0.1897
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0307	1
Onchocerca volvulus		0.0101	0.1085	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0285	1
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0081	0.0396
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0385	0.1897
Schistosoma mansoni	zinc finger protein	0.0019	0.0033	0.0096
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0307	1
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0048	0.0402	0.1744
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0385	0.1126
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0268	0.1322
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0385	0.1126
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0003
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0039	0.0285	1
Giardia lamblia	Pyruvate kinase	0.0033	0.0208	1
Brugia malayi	PHD-finger family protein	0.0024	0.01	0.0491
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0285	1
Schistosoma mansoni	hypothetical protein	0.0213	0.2518	0.7358
Echinococcus multilocularis	NMDA receptor	0.0048	0.0402	0.0402
Echinococcus granulosus	RNA directed DNA polymerase	0.0041	0.0316	0.1372
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0003
Plasmodium falciparum	pyruvate kinase	0.0033	0.0208	0.054
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0385	0.0385
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0048	0.0402	0.1744
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0285	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0217	0.1067
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0418	0.1812
Schistosoma mansoni	glutamate receptor NMDA	0.0234	0.2789	0.8149
Brugia malayi	Bromodomain containing protein	0.0037	0.0268	0.1317
Brugia malayi	Bromodomain containing protein	0.0073	0.0728	0.3582
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0196	0.2304	0.2304
Leishmania major	alpha glucosidase II subunit, putative	0.0039	0.0285	1
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0312	0.379	1
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0307	1
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0208	0.054
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0307	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0251	0.5508
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0418	0.1812
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0468	0.2032
Schistosoma mansoni	glutamate receptor AMPA	0.0129	0.1448	0.423
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0081	0.0396
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0175	0.2031	0.2031
Brugia malayi	Glutamate receptor 2 precursor	0.0129	0.1448	0.7126
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0285	0.1405
Echinococcus granulosus	pyruvate kinase	0.0033	0.0208	0.0901
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0415	0.2045
Schistosoma mansoni	alpha-glucosidase	0.015	0.1719	0.5023
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0014
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0001	0.0004
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0285	1
Echinococcus granulosus	pyruvate kinase	0.0033	0.0208	0.0901
Echinococcus multilocularis	glutamate receptor 2	0.0129	0.1448	0.1448
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0251	0.5508
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0285	1
Loa Loa (eye worm)	MBCTL1	0.0053	0.0468	0.2305
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0039	0.0285	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0175	0.2031	0.8818
Entamoeba histolytica	fatty acid elongase, putative	0.004	0.0307	1
Brugia malayi	Glutamate receptor 1 precursor	0.0129	0.1448	0.7126
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0046	0.0227
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0208	0.0016
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.007	0.0304
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0536	0.2326
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0251	0.1087
Echinococcus granulosus	nmda type glutamate receptor	0.0143	0.1625	0.7054
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0208	0.1022
Brugia malayi	Inositol-1	0.0036	0.0251	0.1233
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0208	0.1022
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0581	0.1697
Echinococcus multilocularis	RNA directed DNA polymerase	0.0041	0.0316	0.0316
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0468	0.2305

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 4 mg kg-1	Anticonvulsant effect in mouse electroshock-induced seizure test (MES).	ChEMBL.	11909726
IC50 (binding)	= 3 nM	In vitro inhibitory activity at 1 uM concentration against N-methyl-D-aspartate glutamate receptor, using [3H]-CGP-39,653 binding assay	ChEMBL.	11909726

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: CHEMBL552664

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 1045742