TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 813.835 | Formula: C35H36N9NaO9S2
H donors: 7 H acceptors: 11 LogP: 0.54 Rotable bonds: 17
Rule of 5 violations (Lipinski): 4
SMILES: OC[C@H]1OC([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2Nc1ccc(cc1)CC(=O)Nc1ccc(cc1)CC(=O)NCC/N=C(/Nc1ccc(cc1)S(=O)(=O)[O-])\S.[Na+]
InChi: 1S/C35H37N9O9S2.Na/c45-17-26-30(48)31(49)34(53-26)44-19-40-29-32(38-18-39-33(29)44)42-23-7-3-21(4-8-23)16-28(47)41-22-5-1-20(2-6-22)15-27(46)36-13-14-37-35(54)43-24-9-11-25(12-10-24)55(50,51)52;/h1-12,18-19,26,30-31,34,45,48-49H,13-17H2,(H,36,46)(H,41,47)(H2,37,43,54)(H,38,39,42)(H,50,51,52);/q;+1/p-1/t26-,30-,31-,34?;/m1./s1
InChiKey: IRHOCZWSXXMYMD-VCFYQMGGSA-M

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adenosine A1 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adenosine A2 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	23.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2 receptor	410 aa	399 aa	28.1 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	356 aa	23.9 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	327 aa	24.8 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2 receptor	410 aa	366 aa	25.4 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2 receptor	410 aa	346 aa	28.3 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	22.7 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	323 aa	20.7 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	274 aa	22.6 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2 receptor	410 aa	340 aa	27.9 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	315 aa	21.6 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	337 aa	23.1 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0174	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Brugia malayi	Dopamine receptor protein 2	0.0016	0.0129	0.0129
Echinococcus multilocularis	orexin receptor type 2	0.0016	0.0129	0.0129
Echinococcus multilocularis	neuropeptide Y receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0016	0.0129	0.0129
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0174	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0379	0.4061	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	somatostatin receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	biogenic amine receptor	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	7TM GPCR rhodopsin	0.0016	0.0129	0.0129
Brugia malayi	putative neuropeptide receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0059
Echinococcus multilocularis	neuropeptide receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	neuropeptide F receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Brugia malayi	AKH receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0174	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0496	0.0496
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	fmrfamide receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	neuropeptide F receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	neuropeptide FF receptor 2	0.0016	0.0129	0.0129
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	sex peptide receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	biogenic amine receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Brugia malayi	G-protein coupled receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	vesicular acetylcholine transporter	0.0926	1	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0016	0.0129	0.0129
Brugia malayi	ORL1-like opioid receptor	0.0016	0.0129	0.0129
Brugia malayi	Serotonin receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0031	0.1806
Echinococcus granulosus	g protein coupled receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Onchocerca volvulus		0.0016	0.0129	0.0129
Echinococcus granulosus	biogenic amine 5HT receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	somatostatin receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Brugia malayi	Melatonin receptor type 1A	0.0016	0.0129	0.0129
Brugia malayi	RE15519p	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	adenoreceptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	dro:myosuppressin receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.0662	0.0662
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0031	0.1806
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0289	0.0289
Echinococcus granulosus	geminin	0.0185	0.1957	0.1957
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0016	0.0129	0.0129
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0016	0.0129	0.0129
Schistosoma mansoni	ap endonuclease	0.002	0.0174	0.0174
Schistosoma mansoni	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	neuropeptide receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	neuropeptide receptor	0.0016	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	TYRA-2 protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0926	1	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0016	0.0129	0.0129
Brugia malayi	GnHR receptor homolog	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	neuropeptide F-like receptor	0.0016	0.0129	0.0129
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0379	0.4061	1
Leishmania major	C-8 sterol isomerase-like protein	0.0379	0.4061	1
Onchocerca volvulus		0.0016	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0016	0.0129	0.0129
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0016	0.0129	0.0129
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0289	0.0289
Onchocerca volvulus		0.0016	0.0129	0.0129
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0174	0.0174
Echinococcus granulosus	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Schistosoma mansoni	opsin-like receptor	0.0016	0.0129	0.0129
Brugia malayi	Dopamine receptor protein 1	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0031	0.0289	0.0289
Loa Loa (eye worm)	melatonin receptor type 1A	0.0016	0.0129	0.0129
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0174	0.0174
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0174	0.0428
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0016	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Echinococcus multilocularis	serotonin receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0031	0.1806
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0016	0.0129	0.0129
Echinococcus granulosus	fmrfamide receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	neuropeptides capa receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	allatostatin A receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	g protein coupled receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0039	0.0039
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0031	0.1806
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0174	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0496	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0174	0.0428
Brugia malayi	sulfakinin receptor protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	serotonin receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0016	0.0129	0.0129
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0016	0.0129	0.0129
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0016	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Echinococcus granulosus	sex peptide receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	cpg binding protein	0.0032	0.0308	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	vesicular acetylcholine transporter	0.0926	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0496	0.0496
Schistosoma mansoni	amine GPCR	0.0016	0.0129	0.0129
Schistosoma mansoni	neuropeptide F-like receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0031	0.1806
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0174	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	G-protein coupled receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0437	0.4694	0.4694
Schistosoma mansoni	cpg binding protein	0.0032	0.0308	0.0308
Echinococcus multilocularis	g-protein coupled receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0185	0.1957	0.1957
Echinococcus granulosus	7tm_1 domain containing protein	0.0016	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Schistosoma mansoni	opsin-like receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	growth hormone secretagogue receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0379	0.4061	0.4061
Onchocerca volvulus		0.0016	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	neuropeptide f receptor 76f	0.0016	0.0129	0.0129
Echinococcus multilocularis	neuropeptide s receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0039	0.0039
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Brugia malayi	follicle stimulating hormone receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	g protein coupled receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	neuropeptides capa receptor	0.0016	0.0129	0.0129
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0016	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0016	0.0129	0.0129
Echinococcus granulosus	neuropeptides capa receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	neuropeptide receptor A26	0.0016	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0016	0.0129	0.0129
Echinococcus granulosus	neuropeptide s receptor	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Brugia malayi	putative neuropeptide receptor NPR1	0.0016	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0496	0.0496
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0016	0.0129	0.0129
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0016	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0016	0.0129	0.0129
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0548	0.5899	0.5899
Echinococcus granulosus	neuropeptide Y receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0174	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0016	0.0129	0.0129
Brugia malayi	Dopamine receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0031	0.1806
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0059	0.0059
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0496	0.0496
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0174	1
Onchocerca volvulus		0.0016	0.0129	0.0129
Echinococcus granulosus	microtubule associated protein 2	0.0737	0.7949	0.7949
Echinococcus multilocularis	dnaJ subfamily B	0.0437	0.4694	0.4694
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0016	0.0129	0.0129
Schistosoma mansoni	myosin xvIII	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Echinococcus multilocularis	g protein coupled receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	G-protein coupled receptor	0.0016	0.0129	0.0129
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2054	0.2054
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0496	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	amine GPCR	0.0016	0.0129	0.0129
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0039	0.0039
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0174	0.0174
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0016	0.0129	0.0129
Toxoplasma gondii	exonuclease III APE	0.002	0.0174	0.2966
Brugia malayi	neuropeptide F receptor	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0016	0.0129	0.0129
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0174	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0016	0.0129	0.0129
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0496	0.0496
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	dnaJ subfamily B	0.0437	0.4694	0.4694
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	cpg binding protein	0.0031	0.0289	0.0289
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0016	0.0129	0.0129
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0016	0.0129	0.0129
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0926	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0586	1
Schistosoma mansoni	ap endonuclease	0.002	0.0174	0.0174
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0185	0.1957	0.1957
Echinococcus granulosus	neuropeptide Y receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	histamine h1 receptor	0.0016	0.0129	0.0129
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0016	0.0129	0.0129
Echinococcus granulosus	orexin receptor type 2	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	cpg binding protein	0.0032	0.0308	0.0308
Echinococcus multilocularis	geminin	0.0185	0.1957	0.1957
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	microtubule-associated protein tau	0.0737	0.7949	0.7949
Schistosoma mansoni	opsin-like receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0031	0.1806
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0174	0.0428
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0174	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0548	0.5899	0.5899
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0016	0.0129	0.0129
Echinococcus granulosus	cpg binding protein	0.0032	0.0308	0.0308
Echinococcus granulosus	neuropeptide receptor	0.0016	0.0129	0.0129
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0031	0.1806
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0174	1
Echinococcus granulosus	g protein coupled receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Echinococcus multilocularis	fmrfamide receptor	0.0016	0.0129	0.0129
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0174	1
Echinococcus granulosus	allatostatin A receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	tm gpcr rhodopsin	0.0016	0.0129	0.0129
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	microtubule associated protein 2	0.0737	0.7949	0.7949
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0496	0.0496
Trichomonas vaginalis	helicase, putative	0.0007	0.0031	0.1806
Brugia malayi	neuropeptide F receptor	0.0016	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	g-protein coupled receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	serotonin receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0016	0.0129	0.0129
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0883	0.9533	0.9533
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Echinococcus multilocularis	neuropeptides capa receptor	0.0016	0.0129	0.0129
Brugia malayi	G protein-coupled receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Echinococcus multilocularis	g protein coupled receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	biogenic amine 5HT receptor	0.0016	0.0129	0.0129
Echinococcus granulosus	dro:myosuppressin receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	neuropeptide Y receptor	0.0016	0.0129	0.0129
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0926	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus granulosus	hypothetical protein	0.0016	0.0129	0.0129
Brugia malayi	G-protein coupled receptor	0.0016	0.0129	0.0129
Brugia malayi	larval opioid receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	G protein coupled receptor 139	0.0016	0.0129	0.0129
Brugia malayi	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0031	0.1806
Echinococcus granulosus	G protein coupled receptor 139	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0016	0.0129	0.0129
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0039	0.0039
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0016	0.0129	0.0129
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0016	0.0129	0.0129
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0379	0.4061	0.4061
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Onchocerca volvulus		0.0016	0.0129	0.0129
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0058	0.0058
Echinococcus granulosus	neuropeptide receptor A26	0.0016	0.0129	0.0129
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0016	0.0129	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	neuropeptide receptor	0.0016	0.0129	0.0129
Schistosoma mansoni	biogenic amine receptor	0.0016	0.0129	0.0129
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0039	0.0039
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0496	0.0496
Brugia malayi	Serotonin receptor	0.0016	0.0129	0.0129
Brugia malayi	G protein-coupled receptor F59B2.13	0.0016	0.0129	0.0129

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	%	Inhibition of [125I]-APNEA binding to adenosine A1 receptor of rat brain	ChEMBL.	2709373
Ki (binding)	nM	Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)adenosine (R)-[3H]-PIA in calf brain; ND means not determined.	ChEMBL.	2709373
Ki (binding)	= 51.1 nM	Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)adenosine (R)-[3H]-PIA in rat brain.	ChEMBL.	2709373
Ki (binding)	= 70 nM	Inhibitory affinity for adenosine A2 receptor using [3H]-N-ethyladenosine-5'-uronamide	ChEMBL.	2709373

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.

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External resources for this compound

ChEMBL: CHEMBL604555

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1097231