TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 469.451 | Formula: C21H23N7O6
H donors: 5 H acceptors: 8 LogP: -0.61 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCNC(=O)C1OC(C(C1O)O)n1cnc2c1ncnc2NC(=O)Nc1ccc(cc1)C(=O)C
InChi: 1S/C21H23N7O6/c1-3-22-19(32)16-14(30)15(31)20(34-16)28-9-25-13-17(23-8-24-18(13)28)27-21(33)26-12-6-4-11(5-7-12)10(2)29/h4-9,14-16,20,30-31H,3H2,1-2H3,(H,22,32)(H2,23,24,26,27,33)
InChiKey: MDGCYCQCRVUEGF-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
Echinococcus granulosus	geminin	0.0172	0.2359	0.2358
Schistosoma mansoni	lamin	0.0028	0.0277	0.0213
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0013	0.0065	0.0064
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0013	0.0065	0.0216
Echinococcus granulosus	orexin receptor type 2	0.0013	0.0065	0.0064
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	carboxylesterase	0.015	0.2044	0.6914
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0013	0.0065	0.0221
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0013	0.0065	0.0064
Onchocerca volvulus		0.004	0.0449	0.1327
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0168	0.0166
Echinococcus granulosus	7TM GPCR rhodopsin	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus granulosus	lamin dm0	0.0028	0.0277	0.0275
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Echinococcus granulosus	Glycosyl transferase family 35	0.0213	0.2956	0.2955
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0013	0.0065	0.0064
Echinococcus granulosus	ubiquitin specific protease 41	0.0041	0.0458	0.0457
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	g protein coupled receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Echinococcus multilocularis	neuropeptide Y receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	acetylcholinesterase	0.015	0.2044	0.2043
Echinococcus granulosus	BC026374 protein S09 family	0.004	0.0449	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Schistosoma mansoni	BC026374 protein (S09 family)	0.004	0.0449	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0013	0.0065	0.0064
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0013	0.0065	0.0064
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0458	0.0037
Schistosoma mansoni	lamin	0.0028	0.0277	0.0213
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0013	0.0065	0.0221
Echinococcus granulosus	glycogen phosphorylase	0.0213	0.2956	0.2955
Mycobacterium ulcerans	carboxylesterase, LipT	0.0176	0.2414	1
Echinococcus multilocularis	neuropeptide receptor	0.0013	0.0065	0.0064
Brugia malayi	larval opioid receptor	0.0013	0.0065	0.0221
Echinococcus granulosus	neuropeptides capa receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	allatostatin A receptor	0.0013	0.0065	0.0064
Brugia malayi	hypothetical protein	0.002	0.0168	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus granulosus	dnaJ subfamily B	0.0413	0.5852	0.5851
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0168	0.0166
Echinococcus granulosus	serotonin receptor	0.0013	0.0065	0.0064
Schistosoma mansoni	hypothetical protein	0.0413	0.5852	0.5824
Schistosoma mansoni	cpg binding protein	0.0031	0.0316	0.0252
Echinococcus granulosus	glycogen phosphorylase	0.0213	0.2956	0.2955
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.015	0.2044	0.6914
Echinococcus multilocularis	neuroligin	0.004	0.0449	0.0447
Echinococcus multilocularis	geminin	0.0172	0.2359	0.2358
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Entamoeba histolytica	glycogenphosphorylase, putative	0.0092	0.1205	0.2991
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Echinococcus granulosus	lamin	0.0028	0.0277	0.0275
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Echinococcus multilocularis	fmrfamide receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	ubiquitin specific protease 41	0.0041	0.0458	0.0457
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.004	0.0449	0.1514
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Schistosoma mansoni	glycogen phosphorylase	0.0092	0.1205	0.1147
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0277	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.004	0.0449	0.0386
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0067	0.0066
Echinococcus granulosus	neuropeptide receptor	0.0013	0.0065	0.0064
Onchocerca volvulus		0.004	0.0449	0.1327
Echinococcus granulosus	tm gpcr rhodopsin	0.0013	0.0065	0.0064
Schistosoma mansoni	cpg binding protein	0.0029	0.0292	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus granulosus	carboxylesterase 5A	0.015	0.2044	0.2043
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0013	0.0065	0.0221
Echinococcus multilocularis	dro:myosuppressin receptor	0.0013	0.0065	0.0064
Brugia malayi	GnHR receptor homolog	0.0013	0.0065	0.0221
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0013	0.0065	0.0064
Echinococcus granulosus	intermediate filament protein	0.0028	0.0277	0.0275
Echinococcus granulosus	neuropeptide Y receptor	0.0013	0.0065	0.0064
Brugia malayi	G protein-coupled receptor	0.0013	0.0065	0.0221
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0089	0.0295
Echinococcus granulosus	g-protein coupled receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	neuropeptide receptor A26	0.0013	0.0065	0.0064
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0013	0.0065	0.0064
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Brugia malayi	AKH receptor	0.0013	0.0065	0.0221
Loa Loa (eye worm)	neuropeptide F receptor	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Onchocerca volvulus		0.004	0.0449	0.1327
Brugia malayi	intermediate filament protein	0.0028	0.0277	0.0937
Echinococcus multilocularis	G protein coupled receptor 139	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.002	0.0168	0.0563
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0168	0.0166
Schistosoma mansoni	glycogen phosphorylase	0.0213	0.2956	0.2909
Entamoeba histolytica	glycogen phosphorylase, putative	0.0092	0.1205	0.2991
Echinococcus multilocularis	lamin dm0	0.0028	0.0277	0.0275
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.0667	0.5
Schistosoma mansoni	glycogen phosphorylase	0.0213	0.2956	0.2909
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.004	0.0449	0.0386
Schistosoma mansoni	hypothetical protein	0.0172	0.2359	0.2308
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Onchocerca volvulus		0.0028	0.0277	0.0732
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0013	0.0065	0.0064
Schistosoma mansoni	loxhd1	0.002	0.0168	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0176	0.2414	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus granulosus	RUN	0.002	0.0168	0.0166
Schistosoma mansoni	rab6-interacting	0.002	0.0168	0.0103
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.0458	0.5
Echinococcus multilocularis	sex peptide receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.004	0.0449	0.1514
Echinococcus granulosus	sex peptide receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	fmrfamide receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.015	0.2044	0.6914
Loa Loa (eye worm)	TYRA-2 protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	dnaJ subfamily B	0.0413	0.5852	0.5851
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	Carboxylesterase family protein	0.004	0.0449	0.1519
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0067	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Onchocerca volvulus		0.002	0.0168	0.0355
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0092	0.1205	0.3849
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0277	0.0937
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.004	0.0449	0.0447
Brugia malayi	RE15519p	0.0013	0.0065	0.0221
Loa Loa (eye worm)	neuropeptide F receptor	0.0013	0.0065	0.0216
Onchocerca volvulus		0.0029	0.0292	0.0783
Echinococcus granulosus	somatostatin receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0013	0.0065	0.0064
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.006	0.0197
Echinococcus granulosus	g protein coupled receptor	0.0013	0.0065	0.0064
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0762	0.0701
Echinococcus granulosus	biogenic amine 5HT receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	fmrfamide receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0013	0.0065	0.0216
Echinococcus granulosus	g protein coupled receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	orexin receptor type 2	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0041	0.0458	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0013	0.0065	0.0221
Brugia malayi	Carboxylesterase family protein	0.015	0.2044	0.6915
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0013	0.0065	0.0216
Echinococcus granulosus	hypothetical protein	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	musashi	0.0028	0.0277	0.0275
Echinococcus granulosus	neuropeptide Y receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0277	0.0932
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Echinococcus multilocularis	serotonin receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.004	0.0449	0.1514
Echinococcus multilocularis	neuropeptide s receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.004	0.0449	0.1514
Entamoeba histolytica	glycogen phosphorylase, putative	0.0092	0.1205	0.2991
Brugia malayi	Carboxylesterase family protein	0.004	0.0449	0.1519
Echinococcus multilocularis	para nitrobenzyl esterase	0.004	0.0449	0.0447
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.0458	0.5
Brugia malayi	hypothetical protein	0.004	0.0449	0.1519
Loa Loa (eye worm)	hypothetical protein	0.004	0.0449	0.1514
Echinococcus multilocularis	neuropeptide Y receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.004	0.0449	0.0447
Brugia malayi	Carboxylesterase family protein	0.015	0.2044	0.6915
Echinococcus multilocularis	serotonin receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	neuropeptide receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	acetylcholinesterase	0.015	0.2044	0.2043
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0041	0.0458	0.155
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Brugia malayi	follicle stimulating hormone receptor	0.0013	0.0065	0.0221
Loa Loa (eye worm)	G-protein coupled receptor	0.0013	0.0065	0.0216
Schistosoma mansoni	neuroligin 3 (S09 family)	0.004	0.0449	0.0386
Brugia malayi	Dopamine receptor protein 1	0.0013	0.0065	0.0221
Echinococcus multilocularis	neuropeptide receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	cpg binding protein	0.0031	0.0316	0.0314
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0041	0.0458	0.0037
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0041	0.0458	0.0457
Echinococcus multilocularis	glycogen phosphorylase	0.0213	0.2956	0.2955
Echinococcus multilocularis	acetylcholinesterase	0.015	0.2044	0.2043
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Onchocerca volvulus		0.0028	0.0277	0.0732
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0168	0.0166
Echinococcus granulosus	biogenic amine 5HT receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	acetylcholinesterase	0.015	0.2044	0.2043
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0277	0.0932
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Schistosoma mansoni	microtubule-associated protein tau	0.07	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0013	0.0065	0.0064
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Loa Loa (eye worm)	carboxylesterase	0.004	0.0449	0.1514
Echinococcus multilocularis	microtubule associated protein 2	0.07	1	1
Echinococcus granulosus	neuroligin	0.004	0.0449	0.0447
Schistosoma mansoni	lipoxygenase	0.002	0.0168	0.0103
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0013	0.0065	0.0064
Echinococcus granulosus	7tm_1 domain containing protein	0.0013	0.0065	0.0064
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0013	0.0065	0.0064
Brugia malayi	Doublecortin family protein	0.002	0.0168	0.0568
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0013	0.0065	0.0064
Brugia malayi	hypothetical protein	0.002	0.0168	0.0568
Schistosoma mansoni	hypothetical protein	0.002	0.0168	0.0103
Echinococcus granulosus	neuropeptide receptor A26	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0027	0.027	0.0907
Entamoeba histolytica	glycogen phosphorylase, putative	0.0213	0.2956	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0168	0.5
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0168	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0013	0.0065	0.0221
Onchocerca volvulus		0.004	0.0449	0.1327
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0041	0.0458	0.0037
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0013	0.0065	0.0216
Loa Loa (eye worm)	G-protein coupled receptor	0.0013	0.0065	0.0216
Schistosoma mansoni	hypothetical protein	0.0172	0.2359	0.2308
Brugia malayi	Serotonin receptor	0.0013	0.0065	0.0221
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0013	0.0065	0.0064
Schistosoma mansoni	lipoxygenase	0.0057	0.0701	0.064
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0213	0.2956	1
Brugia malayi	ORL1-like opioid receptor	0.0013	0.0065	0.0221
Echinococcus granulosus	para nitrobenzyl esterase	0.004	0.0449	0.0447
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Echinococcus multilocularis	g protein coupled receptor	0.0013	0.0065	0.0064
Brugia malayi	carbohydrate phosphorylase	0.0213	0.2956	1
Schistosoma mansoni	acetylcholinesterase	0.004	0.0449	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	neuropeptides capa receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0013	0.0065	0.0064
Brugia malayi	Carboxylesterase family protein	0.004	0.0449	0.1519
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Brugia malayi	Serotonin receptor	0.0013	0.0065	0.0221
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0292	0.0982
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	carboxylesterase	0.004	0.0449	0.1514
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0013	0.0065	0.0221
Echinococcus granulosus	allatostatin A receptor	0.0013	0.0065	0.0064
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0292	0.0987
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0168	0.0563
Echinococcus granulosus	tm gpcr rhodopsin	0.0013	0.0065	0.0064
Echinococcus granulosus	G protein coupled receptor 139	0.0013	0.0065	0.0064
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0067	0.0222
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0277	0.0932
Brugia malayi	G-protein coupled receptor	0.0013	0.0065	0.0221
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0213	0.2956	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0089	0.0301
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.0458	0.5
Onchocerca volvulus		0.002	0.0168	0.0355
Chlamydia trachomatis	glycogen phosphorylase	0.0213	0.2956	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0013	0.0065	0.0064
Echinococcus multilocularis	carboxylesterase 5A	0.015	0.2044	0.2043
Echinococcus granulosus	dro:myosuppressin receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	acetylcholinesterase 1	0.015	0.2044	0.6914
Brugia malayi	neuropeptide F receptor	0.0013	0.0065	0.0221
Schistosoma mansoni	cpg binding protein	0.0031	0.0316	0.0252
Brugia malayi	Carboxylesterase family protein	0.004	0.0449	0.1519
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	sulfakinin receptor protein	0.0013	0.0065	0.0221
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0041	0.0458	0.0457
Echinococcus multilocularis	neuropeptides capa receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	BC026374 protein (S09 family)	0.004	0.0449	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0057	0.0701	0.07
Schistosoma mansoni	rab6-interacting	0.002	0.0168	0.0103
Loa Loa (eye worm)	melatonin receptor type 1A	0.0013	0.0065	0.0216
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0041	0.0458	0.5
Giardia lamblia	Glycogen phosphorylase	0.0213	0.2956	1
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	lamin	0.0028	0.0277	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	putative neuropeptide receptor NPR1	0.0013	0.0065	0.0221
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0213	0.2956	1
Brugia malayi	Dopamine receptor protein 2	0.0013	0.0065	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0458	0.1545
Loa Loa (eye worm)	hypothetical protein	0.002	0.0168	0.0563
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0168	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0013	0.0065	0.0064
Echinococcus multilocularis	somatostatin receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	neuropeptide s receptor	0.0013	0.0065	0.0064
Echinococcus granulosus	neuropeptides capa receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus multilocularis	RUN	0.002	0.0168	0.0166
Loa Loa (eye worm)	glycogen phosphorylase	0.0213	0.2956	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.004	0.0449	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0013	0.006	0.0197
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0213	0.2956	0.2955
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Brugia malayi	Melatonin receptor type 1A	0.0013	0.0065	0.0221
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Echinococcus granulosus	g protein coupled receptor	0.0013	0.0065	0.0064
Brugia malayi	G protein-coupled receptor F59B2.13	0.0013	0.0065	0.0221
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0041	0.0458	0.0395
Entamoeba histolytica	glycogen phosphorylase, putative	0.0213	0.2956	1
Brugia malayi	putative neuropeptide receptor	0.0013	0.0065	0.0221
Brugia malayi	neuropeptide F receptor	0.0013	0.0065	0.0221
Brugia malayi	hypothetical protein	0.0013	0.0065	0.0221
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0168	0.0166
Echinococcus granulosus	rhodopsin orphan GPCR	0.0013	0.0065	0.0064
Echinococcus multilocularis	g-protein coupled receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0041	0.0458	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Brugia malayi	Dopamine receptor	0.0013	0.0065	0.0221
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0057	0.0701	0.07
Onchocerca volvulus		0.004	0.0449	0.1327
Echinococcus multilocularis	g protein coupled receptor	0.0013	0.0065	0.0064
Loa Loa (eye worm)	hypothetical protein	0.004	0.0449	0.1514
Brugia malayi	G-protein coupled receptor	0.0013	0.0065	0.0221
Schistosoma mansoni	gliotactin	0.004	0.0449	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Schistosoma mansoni	polycystin 1-related	0.002	0.0168	0.0103
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.015	0.2044	0.1992
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0013	0.0065	0.0064
Echinococcus multilocularis	glycogen phosphorylase	0.0213	0.2956	0.2955
Echinococcus multilocularis	cpg binding protein	0.0031	0.0316	0.0314
Loa Loa (eye worm)	hypothetical protein	0.004	0.0449	0.1514
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0065	0.0216
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0041	0.0458	0.0395

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 20.9 nM	Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.	ChEMBL.	9703463
Ki (binding)	= 20.9 nM	Displacement of radioligand [125I]-AB-MECA binding at rat A3 receptor expressed in CHO cells	ChEMBL.	15990306
Ki (binding)	= 72.7 nM	Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]-R-PIA.	ChEMBL.	9703463
Ki (binding)	= 72.7 nM	Inhibition of [3H]-R-PIA binding to Adenosine A1 receptor from rat brain membrane	ChEMBL.	15863334
Ki (binding)	= 1050 nM	Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.	ChEMBL.	9703463
Ratio (binding)	= 3.5	Selectivity for binding affinity towards A1 adenosine receptor in rat brain membrane and rat A3 receptor expressed in CHO cells.	ChEMBL.	9703463
Ratio (binding)	= 50	Selectivity for binding affinity towards A2A adenosine receptor in rat striatal membrane and rat A3 receptor expressed in CHO cells.	ChEMBL.	9703463

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: 277181

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 179565