TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.417 | Formula: C19H24N4O6
H donors: 4 H acceptors: 6 LogP: 0.43 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccn(c(=O)c1O)C)NCCCCCNC(=O)c1ccn(c(=O)c1O)C
InChi: 1S/C19H24N4O6/c1-22-10-6-12(14(24)18(22)28)16(26)20-8-4-3-5-9-21-17(27)13-7-11-23(2)19(29)15(13)25/h6-7,10-11,24-25H,3-5,8-9H2,1-2H3,(H,20,26)(H,21,27)
InChiKey: PTRIKZMKNNEQSG-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Schistosoma mansoni	cpg binding protein	0.0029	0.0206	0.0206
Entamoeba histolytica	hexokinase 1	0.1047	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.007	0.007
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0258	0.0258
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0017	0.0017
Onchocerca volvulus		0.1047	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0349	0.0349
Schistosoma mansoni	hypothetical protein	0.0009	0.0013	0.0013
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0009	0.0013	0.0013
Echinococcus multilocularis	neuropeptide receptor A26	0.0448	0.4235	0.4235
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0098	0.087	0.3284
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0017	0.0017
Trypanosoma brucei	hexokinase	0.1047	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.007	0.007
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0017	0.0017
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0017	0.0017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0017	0.0017
Schistosoma mansoni	glutamate receptor AMPA	0.0025	0.0166	0.0166
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0138	0.1254	1
Brugia malayi	Hexokinase family protein	0.0324	0.3041	0.3041
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0.007	0.007
Onchocerca volvulus		0.0028	0.019	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0088	0.0088
Brugia malayi	F/Y-rich N-terminus family protein	0.0008	0.0004	0.0004
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.009	0.0792	0.0792
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0017	0.0017
Echinococcus granulosus	hexokinase	0.1047	1	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0061	0.0512	0.0512
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.007	0.007
Echinococcus multilocularis	hexokinase	0.1047	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.2648	1
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0033	0.024	0.024
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.009	0.0792	0.0792
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0017	0.0017
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.2648	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0144	0.0623
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.2648	1
Echinococcus multilocularis	cpg binding protein	0.0029	0.0206	0.0206
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.007	0.007
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0349	0.0349
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0258	0.0258
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0349	0.0349
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0017
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0061	0.0512	0.0512
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0041	0.0313	0.0313
Brugia malayi	nuclear hormone receptor	0.001	0.0017	0.0017
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.007	0.007
Echinococcus granulosus	hexokinase type 2	0.1047	1	1
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0059	0.049	0.3912
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0025	0.0166	0.0166
Schistosoma mansoni	glutamate receptor kainate	0.0025	0.0166	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0088	0.0088
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0017	0.0017
Loa Loa (eye worm)	glutamate receptor 2	0.0025	0.0166	0.0166
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0088	0.0018
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0017	0.0017
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0017	0.0017
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0017	0.0017
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.009	0.0792	0.0792
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0333	0.3127	0.3127
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.007	0.007
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0098	0.087	0.0805
Brugia malayi	hexokinase type II	0.0333	0.3127	0.3127
Loa Loa (eye worm)	hexokinase type II	0.1047	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0017	0.0017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0017	0.0017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0017	0.0017
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0017	0.0017
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0144	0.0144
Trypanosoma brucei	hexokinase, putative	0.1047	1	1
Echinococcus multilocularis	dnaJ subfamily B	0.0396	0.3737	0.3737
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0005	0.0005
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0144	0.0144
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0098	0.087	0.0805
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.2648	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0349	0.0349
Echinococcus multilocularis	nmda type glutamate receptor	0.0009	0.0013	0.0013
Brugia malayi	isocitrate dehydrogenase	0.0015	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0396	0.3737	0.3737
Entamoeba histolytica	hexokinase 2	0.1047	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.007	0.007
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0144	0.1146
Leishmania major	hexokinase, putative	0.1047	1	1
Trypanosoma cruzi	hexokinase, putative	0.1047	1	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.007	0.007
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.003	0.0212	0.0212
Echinococcus multilocularis	glutamate receptor 2	0.0025	0.0166	0.0166
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.2648	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0017	0.0017
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0144	0.1146
Brugia malayi	ecdysteroid receptor	0.001	0.0017	0.0017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0017	0.0017
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0017	0.0017
Onchocerca volvulus	Hexokinase homolog	0.0657	0.6245	0.6238
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0088	0.1108
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0088	0.07
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0349	0.0349
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0017	0.0017
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.007	0.007
Echinococcus multilocularis	hexokinase	0.1047	1	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0061	0.0512	0.0512
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0017	0.0017
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.2648	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.007	0.007
Schistosoma mansoni	ATP-binding cassette transporter	0.0025	0.0166	0.0166
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0041	0.0313	0.0313
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0017	0.0017
Giardia lamblia	Fructose-bisphosphate aldolase	0.0283	0.2648	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0258	0.0258
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0017	0.0017
Echinococcus granulosus	neuropeptide s receptor	0.0448	0.4235	0.4235
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0258	0.0258
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0017	0.0017
Echinococcus multilocularis	neuropeptide s receptor	0.0448	0.4235	0.4235
Echinococcus granulosus	glutamate receptor 2	0.0021	0.0122	0.0122
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0017
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0079	0.0075
Brugia malayi	Glutamate receptor 1 precursor	0.0025	0.0166	0.0166
Entamoeba histolytica	hypothetical protein	0.0035	0.0258	0.0258
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0017	0.0017
Echinococcus multilocularis	GPCR, family 2	0.0015	0.007	0.007
Echinococcus multilocularis	geminin	0.0164	0.1503	0.1503
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0017	0.0017
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.003	0.0211	0.0211
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0029	0.0202	0.0202
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0017	0.0017
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0387	0.0387
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0017	0.0017
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0061	0.0512	0.0512
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0098	0.087	0.3284
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0009	0.0013	0.0013
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0144	0.0144
Brugia malayi	glucose-6-phosphate dehydrogenase	0.009	0.0792	0.0792
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0088	0.0088
Loa Loa (eye worm)	hexokinase	0.1047	1	1
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.009	0.0792	0.0792
Echinococcus granulosus	geminin	0.0164	0.1503	0.1503
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0.007	0.007
Leishmania major	hexokinase, putative	0.1047	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0017	0.0017
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0144	0.1146
Brugia malayi	hypothetical protein	0.0035	0.0258	0.0258
Loa Loa (eye worm)	hexokinase	0.0324	0.3041	0.3041
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0017
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.007	0.007
Treponema pallidum	fructose-bisphosphate aldolase	0.0283	0.2648	0.2648
Schistosoma mansoni	hypothetical protein	0.0015	0.007	0.007
Brugia malayi	Hexokinase family protein	0.1047	1	1
Echinococcus multilocularis	glutamate receptor 2	0.0021	0.0122	0.0122
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0387	0.0387
Echinococcus granulosus	cpg binding protein	0.0029	0.0206	0.0206
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0025	0.0166	0.0166
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0017
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0491	0.0491
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0144	0.1146
Loa Loa (eye worm)	hypothetical protein	0.0015	0.007	0.007
Echinococcus granulosus	hexokinase	0.1047	1	1
Onchocerca volvulus		0.1047	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0017	0.0017
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.2648	1
Schistosoma mansoni	glutamate receptor AMPA	0.0025	0.0166	0.0166
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0283	0.2648	0.2648
Brugia malayi	steroid hormone receptor	0.001	0.0017	0.0017
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0144	0.1146
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.007	0.007
Schistosoma mansoni	glutamate receptor kainate	0.0056	0.0466	0.0466
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0009	0.0013	0.0013
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.007	0.007
Brugia malayi	Hexokinase family protein	0.0657	0.6245	0.6245
Echinococcus granulosus	dnaJ subfamily B	0.0396	0.3737	0.3737
Schistosoma mansoni	cpg binding protein	0.0028	0.019	0.019
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0017	0.0017
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0017	0.0017
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.007	0.007
Brugia malayi	Glutamate receptor 2 precursor	0.0025	0.0166	0.0166
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0061	0.0512	0.0512
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0349	0.0349
Loa Loa (eye worm)	glutamate receptor 1	0.0025	0.0166	0.0166
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.009	0.0792	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0144	0.0623
Schistosoma mansoni	hypothetical protein	0.0164	0.1503	0.1503
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0144	0.0144
Brugia malayi	nuclear receptor NHR-88	0.001	0.0017	0.0017
Schistosoma mansoni	coup transcription factor	0.001	0.0017	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0017	0.0017
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0283	0.2648	0.2648
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0785	0.7484	0.7484
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.024	0.024
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0017	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0017	0.0017
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.043	0.0363
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0138	0.1254	1
Loa Loa (eye worm)	hypothetical protein	0.0333	0.3127	0.3127
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.009	0.0792	0.0792
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0017
Echinococcus multilocularis	hexokinase type 2	0.1047	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.007	0.007
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0061	0.0512	0.0512
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0017	0.0017
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0017	0.0017
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0144	0.1146
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0144	0.0144
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0144	0.0144
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0088	0.0018
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0144	0.0144
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0144	0.0144
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0098	0.087	0.0805
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.003	0.0212	0.0212
Trypanosoma cruzi	hexokinase, putative	0.1047	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0144	0.1146
Schistosoma mansoni	glutamate receptor kainate	0.0056	0.0466	0.0466
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.009	0.0792	0.0792
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0017	0.0017
Loa Loa (eye worm)	hexokinase	0.0657	0.6245	0.6245
Schistosoma mansoni	hypothetical protein	0.0033	0.024	0.024
Echinococcus granulosus	neuropeptide receptor A26	0.0448	0.4235	0.4235
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0017
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0349	0.0349
Schistosoma mansoni	hypothetical protein	0.0015	0.007	0.007
Schistosoma mansoni	hexokinase	0.1047	1	1
Echinococcus granulosus	nmda type glutamate receptor	0.0009	0.0013	0.0013
Entamoeba histolytica	hypothetical protein	0.0035	0.0258	0.0258
Echinococcus multilocularis	glutamate receptor 2	0.003	0.0212	0.0212
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0031	0.0224	0.1303
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0017	0.0017
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.009	0.0792	0.0792
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0017	0.0017
Schistosoma mansoni	hypothetical protein	0.0164	0.1503	0.1503
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.009	0.0792	0.0792
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0017	0.0017
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0059	0.049	0.0424
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0041	0.0313	0.0313
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0017
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0144	0.1146
Schistosoma mansoni	glutamate receptor NMDA	0.0025	0.0166	0.0166
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.009	0.0792	0.6317
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0079	0.0075
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0144	0.0144
Treponema pallidum	hexokinase (hxk)	0.1047	1	1
Echinococcus multilocularis	hexokinase	0.1047	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0017	0.0017
Plasmodium falciparum	hexokinase	0.1047	1	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0144	0.1146
Brugia malayi	CXXC zinc finger family protein	0.0028	0.019	0.019
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0079	0.0075
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0098	0.087	0.3284
Echinococcus granulosus	hexokinase	0.1047	1	1
Schistosoma mansoni	hypothetical protein	0.0015	0.007	0.007
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.007	0.007
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0283	0.2648	1
Loa Loa (eye worm)	hexokinase	0.1047	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0088	0.0088
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.019	0.019
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0017	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0017	0.0017
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0088	0.0151
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0349	0.0349
Echinococcus granulosus	glutamate receptor 2	0.003	0.0212	0.0212
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0017	0.0017
Toxoplasma gondii	hexokinase	0.1047	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0017	0.0017
Plasmodium vivax	hexokinase, putative	0.1047	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0017	0.0017
Schistosoma mansoni	hypothetical protein	0.0035	0.0258	0.0258
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.007	0.007
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0017	0.0017
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0009	0.0013	0.0013
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0079	0.0075
Trypanosoma brucei	hexokinase	0.1047	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0349	0.0349
Entamoeba histolytica	hypothetical protein	0.0035	0.0258	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0714	0.6796	0.6796
Schistosoma mansoni	glutamate receptor NMDA	0.003	0.0212	0.0212
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0017	0.0017
Schistosoma mansoni	hypothetical protein	0.0015	0.007	0.007
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0017	0.0017
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0005	0.0005
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0144	0.1146
Echinococcus multilocularis	NMDA receptor	0.0041	0.0313	0.0313
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0017	0.0017
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0138	0.1254	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0005	0.0005
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0098	0.087	0.3284
Schistosoma mansoni	cpg binding protein	0.0029	0.0206	0.0206
Onchocerca volvulus		0.0023	0.0144	0.0127
Onchocerca volvulus		0.1047	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0017
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0017	0.0017
Echinococcus granulosus	GPCR family 2	0.0015	0.007	0.007
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0144	0.0144
Onchocerca volvulus		0.0657	0.6245	0.6238
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0041	0.0313	0.0313

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
ID (functional)	= 0.3 %	Percent of Pu(IV) retained after 24 hours in kidneys of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 0.3 %	Percent of Pu(IV) retained after 24 hours in kidneys of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 0.8 %	% Pu(IV) retained after 24 hours in kidneys of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 0.8 %	% Pu(IV) retained after 24 hours in kidneys of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 1.9 %	Percent of Pu(IV) retained after 24 hours in soft tissue of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 1.9 %	Percent of Pu(IV) retained after 24 hours in soft tissue of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 3.1 %	Percent of Pu(IV) retained after 24 hours in liver of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 3.1 %	Percent of Pu(IV) retained after 24 hours in liver of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 3.2 %	% Pu(IV) retained after 24 hours in soft tissue of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 3.2 %	% Pu(IV) retained after 24 hours in soft tissue of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 10 %	Percent of Pu(IV) retained after 24 hours in skeleton of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 10 %	% Pu(IV) excreted at 0-4 hr in urine under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 10 %	Percent of Pu(IV) retained after 24 hours in skeleton of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 10 %	% Pu(IV) excreted at 0-4 hr in urine under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 13 %	% Pu(IV) excreted at 0-24 hr in urine under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 13 %	% Pu(IV) excreted at 0-24 hr in urine under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 16 %	Percent of Pu(IV) retained after 24 hours in whole body of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 16 %	Percent of Pu(IV) retained after 24 hours in whole body of mice under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 18 %	Percent of Pu(IV) excreted after 24 hours in urine under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 18 %	Percent of Pu(IV) excreted after 24 hours in urine under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 22 %	%Pu(IV) excreted after 24 hr in GI contents and feces under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 22 %	%Pu(IV) excreted after 24 hr in GI contents and feces under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 24 %	% Pu(IV) retained after 24 hours in skeleton of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 24 %	% Pu(IV) retained after 24 hours in skeleton of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 25 %	% Pu(IV) retained after 24 hours in liver of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 25 %	% Pu(IV) retained after 24 hours in liver of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 54 %	% Pu(IV) retained after 24 hr in whole body of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 54 %	% Pu(IV) retained after 24 hr in whole body of mice under the effect of 30microM/kg(po, gastric intubation) of ligand administered 3 min after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 67 %	Percent of Pu(IV) excreted after 24 hours in GI contents and feces under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800
ID (functional)	= 67 %	Percent of Pu(IV) excreted after 24 hours in GI contents and feces under the effect of 30 umol/kg (i.p.) of ligand administered 1 hr after iv injection of Pu(IV) citrate	ChEMBL.	7629800

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: CHEMBL313139

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 142287