TDR Targets

Basic information

Technical information

TDR Targets ID: 53675
Name: 2-(2,6-dimethoxyphenoxy)-N-[[(2R,3R)-3-(4-eth ylphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]me thyl]ethanamine
MW: 449.539 | Formula: C27H31NO5
H donors: 1 H acceptors: 0 LogP: 5.21 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)[C@H]1Oc2ccccc2O[C@@H]1CNCCOc1c(OC)cccc1OC
InChi: 1S/C27H31NO5/c1-4-19-12-14-20(15-13-19)26-25(32-21-8-5-6-9-22(21)33-26)18-28-16-17-31-27-23(29-2)10-7-11-24(27)30-3/h5-15,25-26,28H,4,16-18H2,1-3H3/t25-,26-/m1/s1
InChiKey: FVAJBDGWMKQHNT-CLJLJLNGSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-3-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Adrenergic receptor alpha-1	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	tm gpcr rhodopsin	0.0174	0.0263	0.0372
Loa Loa (eye worm)	G-protein coupled receptor	0.0174	0.0263	0.0263
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0465	0.0883	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0637	0.1249	0.1249
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus granulosus	g-protein coupled receptor	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Brugia malayi	putative neuropeptide receptor NPR1	0.0174	0.0263	0.026
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	sex peptide receptor	0.0174	0.0263	0.0372
Brugia malayi	dihydrofolate reductase family protein	0.0363	0.0664	0.0662
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.1253	0.2562	1
Onchocerca volvulus		0.0174	0.0263	0.0932
Schistosoma mansoni	serine/threonine protein kinase	0.0101	0.0106	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	g-protein coupled receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	thymidylate synthase	0.089	0.1788	0.2531
Echinococcus granulosus	neuropeptide FF receptor 2	0.0174	0.0263	0.0372
Onchocerca volvulus		0.0174	0.0263	0.0932
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0174	0.0263	0.026
Loa Loa (eye worm)	neuropeptide F receptor	0.0174	0.0263	0.0263
Schistosoma mansoni	membrane associated guanylate kinase inverted related	0.0071	0.0043	0.0055
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0174	0.0263	0.0339
Mycobacterium tuberculosis	Hypothetical protein	0.0423	0.0793	0.4251
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0327	0.0588	0.0758
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0363	0.0664	0.3506
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Onchocerca volvulus		0.089	0.1788	1
Echinococcus granulosus	neuropeptides capa receptor	0.0174	0.0263	0.0372
Brugia malayi	Angiotensin-converting enzyme family protein	0.0602	0.1174	0.1172
Echinococcus multilocularis	neuropeptide s receptor	0.0174	0.0263	0.0372
Trichomonas vaginalis	conserved hypothetical protein	0.0423	0.0793	0.2748
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.3366	0.7066	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0174	0.0263	0.0372
Schistosoma mansoni	myosin xvIII	0.0174	0.0263	0.0339
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0385	0.0712	0.3779
Echinococcus granulosus	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0003	0.0003
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0078	0.0058	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0174	0.0263	0.0372
Echinococcus multilocularis	nmda type glutamate receptor	0.0109	0.0123	0.0174
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0701	0.1386	0.7608
Schistosoma mansoni	hypothetical protein	0.0174	0.0263	0.0339
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Echinococcus granulosus	hypothetical protein	0.0174	0.0263	0.0372
Brugia malayi	aspartic protease BmAsp-1, identical	0.0327	0.0588	0.0586
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0125	0.0157	0.0202
Plasmodium falciparum	plasmepsin II	0.1274	0.2607	1
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Plasmodium falciparum	plasmepsin IV	0.1274	0.2607	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Loa Loa (eye worm)	G-protein coupled receptor	0.0174	0.0263	0.0263
Echinococcus granulosus	neuropeptide Y receptor	0.0174	0.0263	0.0372
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Brugia malayi	thymidylate synthase	0.089	0.1788	0.1786
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0327	0.0588	0.0758
Echinococcus multilocularis	orexin receptor type 2	0.0174	0.0263	0.0372
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0637	0.1249	0.1767
Onchocerca volvulus		0.0174	0.0263	0.0932
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus granulosus	Tolloid protein 1	0.0125	0.0157	0.0222
Brugia malayi	RE15519p	0.0174	0.0263	0.026
Schistosoma mansoni	serine-type protease inhibitor	0.0432	0.0812	0.1046
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0469	0.089	0.089
Echinococcus multilocularis	G protein coupled receptor 139	0.1433	0.2945	0.4168
Schistosoma mansoni	hypothetical protein	0.0637	0.1249	0.161
Onchocerca volvulus	Arrow homolog	0.0125	0.0157	0.0302
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0174	0.0263	0.026
Echinococcus multilocularis		0.0071	0.0043	0.0061
Plasmodium vivax	plasmepsin IV, putative	0.1274	0.2607	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.2013	0.4183	0.4181
Echinococcus granulosus	laminin	0.0125	0.0157	0.0222
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Schistosoma mansoni	hypothetical protein	0.0637	0.1249	0.161
Schistosoma mansoni	amine GPCR	0.0774	0.1542	0.1988
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0174	0.0263	0.0372
Brugia malayi	G protein-coupled receptor	0.0174	0.0263	0.026
Echinococcus multilocularis	neuropeptide Y receptor	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.1299	0.266	0.3764
Brugia malayi	Dihydrofolate reductase	0.0363	0.0664	0.0662
Brugia malayi	follicle stimulating hormone receptor	0.0174	0.0263	0.026
Echinococcus granulosus	neuropeptide Y receptor	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	allatostatin A receptor	0.0174	0.0263	0.0372
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0101	0.0106	0.5
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0385	0.0712	0.0709
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0174	0.0263	0.0339
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0125	0.0157	0.0157
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0174	0.0263	0.0372
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0174	0.0263	0.0263
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0125	0.0157	0.0157
Giardia lamblia	Kinase, PLK	0.0101	0.0106	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0174	0.0263	0.0372
Loa Loa (eye worm)	neuropeptide F receptor	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.1274	0.2607	0.2607
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0327	0.0588	0.0586
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0327	0.0588	0.0758
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.1253	0.2562	1
Loa Loa (eye worm)	hypothetical protein	0.0316	0.0565	0.0565
Echinococcus granulosus	serotonin receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Echinococcus multilocularis	somatostatin receptor	0.0174	0.0263	0.0372
Onchocerca volvulus		0.0174	0.0263	0.0932
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0174	0.0263	0.026
Echinococcus granulosus	neuropeptide s receptor	0.0174	0.0263	0.0372
Echinococcus multilocularis	g protein coupled receptor	0.0174	0.0263	0.0372
Schistosoma mansoni	hypothetical protein	0.0174	0.0263	0.0339
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0327	0.0588	0.0758
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Loa Loa (eye worm)	matrix metalloproteinase	0.0316	0.0565	0.0565
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0174	0.0263	0.0372
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.1274	0.2607	0.3361
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0174	0.0263	0.0372
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0174	0.0263	0.0339
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.4742	1	1
Brugia malayi	hypothetical protein	0.0327	0.0588	0.0586
Brugia malayi	G-protein coupled receptor	0.0174	0.0263	0.026
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Brugia malayi	Serotonin receptor	0.0174	0.0263	0.026
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0109	0.0123	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0157	0.0157
Plasmodium vivax	aspartyl proteinase, putative	0.1274	0.2607	1
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0174	0.0263	0.0372
Schistosoma mansoni	amine GPCR	0.0174	0.0263	0.0339
Onchocerca volvulus		0.0174	0.0263	0.0932
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0174	0.0263	0.0339
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.1253	0.2562	0.9775
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Schistosoma mansoni	memapsin-2 (A01 family)	0.0327	0.0588	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Schistosoma mansoni	hypothetical protein	0.0174	0.0263	0.0339
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0327	0.0588	0.0758
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0174	0.0263	0.0372
Echinococcus granulosus	g protein coupled receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	neuropeptide receptor	0.0174	0.0263	0.0372
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0602	0.1174	0.1174
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0157	0.0157
Echinococcus granulosus	biogenic amine 5HT receptor	0.0469	0.089	0.1259
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0258	0.0441	0.0624
Onchocerca volvulus		0.0448	0.0847	0.4403
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0174	0.0263	0.0263
Schistosoma mansoni	opsin-like receptor	0.0174	0.0263	0.0339
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0174	0.0263	0.0372
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.1253	0.2562	0.9815
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.1253	0.2562	1
Onchocerca volvulus		0.0316	0.0565	0.2728
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0327	0.0588	0.0588
Onchocerca volvulus		0.0174	0.0263	0.0932
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0078	0.0058	0.5
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus granulosus	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Plasmodium falciparum	plasmepsin I	0.1274	0.2607	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0316	0.0565	0.0565
Brugia malayi	Pepsin A precursor	0.0327	0.0588	0.0586
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0174	0.0263	0.0339
Onchocerca volvulus	Matrilysin homolog	0.0316	0.0565	0.2728
Schistosoma mansoni	opsin-like receptor	0.0174	0.0263	0.0339
Brugia malayi	Hemopexin family protein	0.0448	0.0847	0.0844
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0637	0.1249	0.1247
Schistosoma mansoni	serine-type protease inhibitor	0.0432	0.0812	0.1046
Echinococcus granulosus	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Brugia malayi	Dopamine receptor protein 2	0.0174	0.0263	0.026
Echinococcus multilocularis	fibrillin 1	0.0125	0.0157	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Plasmodium falciparum	plasmepsin X	0.0565	0.1096	0.2516
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Brugia malayi	Serotonin receptor	0.0174	0.0263	0.026
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0174	0.0263	0.0339
Brugia malayi	Matrixin family protein	0.0316	0.0565	0.0562
Schistosoma mansoni	cathepsin D (A01 family)	0.369	0.7758	1
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0157	0.0157
Echinococcus multilocularis	dihydrofolate reductase	0.0363	0.0664	0.094
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0469	0.089	0.1147
Plasmodium falciparum	plasmepsin VI	0.1274	0.2607	1
Echinococcus granulosus	neuropeptide receptor	0.1433	0.2945	0.4168
Echinococcus multilocularis	fmrfamide receptor	0.0174	0.0263	0.0372
Onchocerca volvulus		0.0174	0.0263	0.0932
Toxoplasma gondii	aspartyl protease ASP1	0.1274	0.2607	1
Echinococcus multilocularis	Tolloid protein 1	0.0125	0.0157	0.0222
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0174	0.0263	0.0932
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.2013	0.4183	0.4183
Echinococcus multilocularis	serotonin receptor	0.0469	0.089	0.1259
Brugia malayi	neuropeptide F receptor	0.0174	0.0263	0.026
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0174	0.0263	0.0263
Loa Loa (eye worm)	matrixin family protein	0.0701	0.1386	0.1386
Brugia malayi	ORL1-like opioid receptor	0.0174	0.0263	0.026
Schistosoma mansoni	biogenic amine receptor	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.1376	0.2825	0.2825
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0125	0.0157	0.0157
Schistosoma mansoni	neuropeptide receptor	0.0174	0.0263	0.0339
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0174	0.0263	0.0372
Chlamydia trachomatis	dihydrofolate reductase	0.0363	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.0588	0.0588
Mycobacterium ulcerans	hydrolase	0.0385	0.0712	0.3779
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0174	0.0263	0.026
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0174	0.0263	0.0339
Schistosoma mansoni	dihydrofolate reductase	0.0363	0.0664	0.0857
Onchocerca volvulus		0.0174	0.0263	0.0932
Toxoplasma gondii	aspartyl protease	0.0327	0.0588	0.176
Brugia malayi	G-protein coupled receptor	0.0174	0.0263	0.026
Loa Loa (eye worm)	hypothetical protein	0.0327	0.0588	0.0588
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0174	0.0263	0.0372
Schistosoma mansoni	neuropeptide F-like receptor	0.0174	0.0263	0.0339
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0423	0.0793	0.2799
Brugia malayi	Dopamine receptor	0.0174	0.0263	0.026
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0327	0.0588	0.0758
Echinococcus multilocularis	neuropeptides capa receptor	0.0174	0.0263	0.0372
Brugia malayi	Matrixin family protein	0.0316	0.0565	0.0562
Loa Loa (eye worm)	hypothetical protein	0.0465	0.0883	0.0883
Echinococcus granulosus	g protein coupled receptor	0.0174	0.0263	0.0372
Schistosoma mansoni	hypothetical protein	0.0637	0.1249	0.161
Brugia malayi	Latrophilin receptor protein 2	0.0637	0.1249	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0129	0.0165	0.0213
Loa Loa (eye worm)	dihydrofolate reductase	0.0363	0.0664	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0469	0.089	0.089
Onchocerca volvulus		0.0174	0.0263	0.0932
Plasmodium falciparum	plasmepsin IX	0.0565	0.1096	0.2516
Echinococcus multilocularis	thymidylate synthase	0.089	0.1788	0.2531
Brugia malayi	GnHR receptor homolog	0.0174	0.0263	0.026
Echinococcus granulosus	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Schistosoma mansoni	neuropeptide receptor	0.1433	0.2945	0.3797
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.089	0.1788	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0101	0.0106	0.015
Schistosoma mansoni	hypothetical protein	0.0174	0.0263	0.0339
Schistosoma mansoni	adenoreceptor	0.0174	0.0263	0.0339
Echinococcus multilocularis	neuropeptide receptor	0.0174	0.0263	0.0372
Schistosoma mansoni	neuropeptide receptor	0.0174	0.0263	0.0339
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0363	0.0664	0.3506
Echinococcus granulosus	neuropeptide receptor A26	0.0174	0.0263	0.0372
Echinococcus multilocularis	neuropeptide receptor	0.1433	0.2945	0.4168
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0174	0.0263	0.0263
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0174	0.0263	0.0339
Brugia malayi	sulfakinin receptor protein	0.0174	0.0263	0.026
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0174	0.0263	0.0372
Brugia malayi	larval opioid receptor	0.0174	0.0263	0.026
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0059	0.0017	0.0022
Schistosoma mansoni	amine GPCR	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0174	0.0263	0.0372
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.1274	0.2607	1
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0125	0.0157	0.0154
Brugia malayi	Melatonin receptor type 1A	0.0174	0.0263	0.026
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0174	0.0263	0.0372
Onchocerca volvulus		0.0174	0.0263	0.0932
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0174	0.0263	0.0339
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus granulosus	nmda type glutamate receptor	0.0109	0.0123	0.0174
Echinococcus multilocularis	sex peptide receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0174	0.0263	0.0372
Echinococcus multilocularis	laminin	0.0125	0.0157	0.0222
Onchocerca volvulus		0.0174	0.0263	0.0932
Brugia malayi	latrophilin 2 splice variant baaae	0.1376	0.2825	0.2823
Echinococcus granulosus	membrane associated guanylate kinase ww and pdz	0.0071	0.0043	0.0061
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0258	0.0441	0.0624
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.1274	0.2607	0.2607
Brugia malayi	aspartic protease BmAsp-2, identical	0.0327	0.0588	0.0586
Echinococcus granulosus	7TM GPCR rhodopsin	0.0174	0.0263	0.0372
Loa Loa (eye worm)	aspartyl protease 6	0.0327	0.0588	0.0588
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0174	0.0263	0.0339
Brugia malayi	serine/threonine-protein kinase plk-2	0.0101	0.0106	0.0103
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0174	0.0263	0.0339
Loa Loa (eye worm)	matrixin family protein	0.0914	0.1839	0.1839
Toxoplasma gondii	aspartyl protease ASP3	0.0565	0.1096	0.3833
Schistosoma mansoni	amine GPCR	0.0174	0.0263	0.0339
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	dro:myosuppressin receptor	0.0174	0.0263	0.0372
Schistosoma mansoni	egf-like domain protein	0.0125	0.0157	0.0202
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Mycobacterium leprae	PROBABLE HYDROLASE	0.0385	0.0712	0.0421
Schistosoma mansoni	hypothetical protein	0.0637	0.1249	0.161
Schistosoma mansoni	cathepsin D (A01 family)	0.369	0.7758	1
Onchocerca volvulus		0.0174	0.0263	0.0932
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0101	0.0106	0.0106
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.089	0.1788	1
Plasmodium vivax	aspartyl protease, putative	0.0565	0.1096	0.2516
Echinococcus granulosus	tm gpcr rhodopsin	0.0174	0.0263	0.0372
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Echinococcus multilocularis	neuropeptide receptor A26	0.0174	0.0263	0.0372
Echinococcus multilocularis	allatostatin A receptor	0.0174	0.0263	0.0372
Schistosoma mansoni	neuropeptide F-like receptor	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Schistosoma mansoni	hypothetical protein	0.0448	0.0847	0.1091
Echinococcus multilocularis	neuropeptide Y receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.1274	0.2607	0.369
Echinococcus granulosus	biogenic amine 5HT receptor	0.0174	0.0263	0.0372
Onchocerca volvulus		0.0174	0.0263	0.0932
Schistosoma mansoni	neuropeptide receptor	0.0174	0.0263	0.0339
Brugia malayi	putative neuropeptide receptor	0.0174	0.0263	0.026
Loa Loa (eye worm)	TYRA-2 protein	0.0174	0.0263	0.0263
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.089	0.1788	0.2305
Schistosoma mansoni	histamine h1 receptor	0.0174	0.0263	0.0339
Echinococcus granulosus	fmrfamide receptor	0.0174	0.0263	0.0372
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0101	0.0106	0.015
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Onchocerca volvulus		0.0327	0.0588	0.2865
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0157	0.0157
Onchocerca volvulus	Matrilysin homolog	0.085	0.1704	0.95
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0327	0.0588	0.176
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Brugia malayi	Matrixin family protein	0.0914	0.1839	0.1837
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0327	0.0588	0.0758
Schistosoma mansoni	biogenic amine receptor	0.0174	0.0263	0.0339
Echinococcus granulosus	dihydrofolate reductase	0.0363	0.0664	0.094
Echinococcus multilocularis	g protein coupled receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Brugia malayi	AKH receptor	0.0174	0.0263	0.026
Echinococcus multilocularis	serotonin receptor	0.0469	0.089	0.1259
Schistosoma mansoni	neuropeptide f receptor 76f	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0385	0.0712	0.0712
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0174	0.0263	0.0339
Brugia malayi	hypothetical protein	0.0174	0.0263	0.026
Loa Loa (eye worm)	melatonin receptor type 1A	0.0174	0.0263	0.0263
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0174	0.0263	0.0932
Brugia malayi	hypothetical protein	0.0327	0.0588	0.0586
Brugia malayi	neuropeptide F receptor	0.0174	0.0263	0.026
Schistosoma mansoni	opsin-like receptor	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus granulosus	g protein coupled receptor	0.0174	0.0263	0.0372
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0174	0.0263	0.0372
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0174	0.0263	0.0372
Echinococcus multilocularis	GPCR, family 2	0.0637	0.1249	0.1767
Schistosoma mansoni	glutamate receptor NMDA	0.0258	0.0441	0.0568
Echinococcus granulosus	orexin receptor type 2	0.0174	0.0263	0.0372
Brugia malayi	Matrixin family protein	0.0316	0.0565	0.0562
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0174	0.0263	0.0372
Schistosoma mansoni	biogenic amine receptor	0.0174	0.0263	0.0339
Brugia malayi	Dopamine receptor protein 1	0.0174	0.0263	0.026
Brugia malayi	Fibulin-1 precursor	0.0125	0.0157	0.0154
Onchocerca volvulus		0.0174	0.0263	0.0932
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.1274	0.2607	0.369
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.3366	0.7066	1
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Onchocerca volvulus		0.0174	0.0263	0.0932
Schistosoma mansoni	hypothetical protein	0.1376	0.2825	0.3641
Mycobacterium ulcerans	thymidylate synthase	0.089	0.1788	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0174	0.0263	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Brugia malayi	Matrixin family protein	0.0316	0.0565	0.0562
Echinococcus granulosus	rhodopsin orphan GPCR	0.0174	0.0263	0.0372
Echinococcus granulosus	GPCR family 2	0.0637	0.1249	0.1767
Echinococcus granulosus	neuropeptides capa receptor	0.0174	0.0263	0.0372
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.1299	0.266	0.3764
Schistosoma mansoni	amine GPCR	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0157	0.0157
Loa Loa (eye worm)	thymidylate synthase	0.089	0.1788	0.1788
Brugia malayi	G protein-coupled receptor F59B2.13	0.0174	0.0263	0.026
Schistosoma mansoni	growth hormone secretagogue receptor	0.0174	0.0263	0.0339
Echinococcus multilocularis	fmrfamide receptor	0.0174	0.0263	0.0372
Plasmodium vivax	aspartyl protease, putative	0.0565	0.1096	0.2516
Onchocerca volvulus		0.0327	0.0588	0.2865
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0637	0.1249	0.1249
Echinococcus multilocularis	dro:myosuppressin receptor	0.0174	0.0263	0.0372
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0327	0.0588	0.0758
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Onchocerca volvulus		0.0174	0.0263	0.0932
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.1274	0.2607	1
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0174	0.0263	0.0372
Brugia malayi	hypothetical protein	0.0423	0.0793	0.0791
Brugia malayi	Calcium binding EGF domain containing protein	0.0125	0.0157	0.0154
Onchocerca volvulus		0.0174	0.0263	0.0932
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0637	0.1249	0.1767
Echinococcus granulosus	somatostatin receptor	0.0174	0.0263	0.0372
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0174	0.0263	0.026
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0174	0.0263	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0174	0.0263	0.0372
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0174	0.0263	0.0339
Echinococcus granulosus	G protein coupled receptor 139	0.0174	0.0263	0.0372
Echinococcus multilocularis	g protein coupled receptor	0.0174	0.0263	0.0372
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.1253	0.2562	0.9775
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0174	0.0263	0.026
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0263	0.0263

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (functional)	> 4.52	Tested for the alpha2-adrenoreceptor blocking activity by antagonism of clonidine-induced depression of the twitch responses of the field-stimulated prostatic portion of isolated rat vas deferens; inactive microM	ChEMBL.	8098772
Kd (functional)	= 7.82	Ex vivo alpha1-adrenoreceptor blocking activity by antagonism of (-)-norepinephrine -induced contractions of the epididymal portion of isolated rat vas deferens.	ChEMBL.	8098772
pA2 (functional)	< 4.52	Tested for the alpha2-adrenoreceptor blocking activity by antagonism of clonidine-induced depression of the twitch responses of the field-stimulated prostatic portion of isolated rat vas deferens; inactive microM	ChEMBL.	8098772
pA2 (functional)	= 7.82	Ex vivo alpha1-adrenoreceptor blocking activity by antagonism of (-)-norepinephrine -induced contractions of the epididymal portion of isolated rat vas deferens.	ChEMBL.	8098772
Ratio (binding)	> 2000	Selectivity ratio is the antilog of the difference between pA2 values at alpha1- and alpha2- adrenoceptors	ChEMBL.	8098772

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

PubChem: 10343705

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 53675