TDR Targets

Basic information

Technical information

TDR Targets ID: 444986
Name: 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hy droxymethyl)phenyl]ethyl]amino]propyl]-N-(pyr idin-2-ylmethyl)-1H-indole-2-carboxamide
MW: 474.552 | Formula: C27H30N4O4
H donors: 6 H acceptors: 5 LogP: 2.54 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: OCc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc2c(c1)cc([nH]2)C(=O)NCc1ccccn1)C)O
InChi: 1S/C27H30N4O4/c1-17(29-15-26(34)19-6-8-25(33)21(12-19)16-32)10-18-5-7-23-20(11-18)13-24(31-23)27(35)30-14-22-4-2-3-9-28-22/h2-9,11-13,17,26,29,31-34H,10,14-16H2,1H3,(H,30,35)/t17-,26+/m1/s1
InChiKey: YMJBTQYGRSYEME-QUGAMOGWSA-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

5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(2-pyridylmethyl)-1H-indole-2-carboxamide
5-[(2R)-2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]propyl]-N-(2-pyridylmethyl)-1H-indole-2-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adrenoceptor beta 2, surface	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
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	g-protein coupled receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	serotonin receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	dro:myosuppressin receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	hypothetical protein	0.0141	0.2619	0.4423
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	neuropeptide F-like receptor	0.0141	0.2619	0.4423
Echinococcus granulosus	biogenic amine 5HT receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0141	0.2619	0.3101
Echinococcus granulosus	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0141	0.2619	0.3101
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0141	0.2619	0.3101
Brugia malayi	thymidylate synthase	0.0211	0.5922	0.7012
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	sex peptide receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	g protein coupled receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	sex peptide receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	melatonin receptor type 1A	0.0141	0.2619	0.3101
Schistosoma mansoni	opsin-like receptor	0.0141	0.2619	0.4423
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Brugia malayi	GnHR receptor homolog	0.0141	0.2619	0.3101
Brugia malayi	Serotonin receptor	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus granulosus	survival motor neuron protein 1	0.0264	0.8446	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0141	0.2619	0.4423
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0141	0.2619	0.3101
Schistosoma mansoni	biogenic amine receptor	0.0141	0.2619	0.4423
Brugia malayi	hypothetical protein	0.01	0.068	0.0805
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Echinococcus granulosus	somatostatin receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0141	0.2619	0.4423
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	neuropeptides capa receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	neuropeptide F receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	fmrfamide receptor	0.0141	0.2619	0.3101
Onchocerca volvulus		0.0211	0.5922	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0141	0.2619	0.4423
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0297	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	tm gpcr rhodopsin	0.0141	0.2619	0.3101
Echinococcus granulosus	7TM GPCR rhodopsin	0.0141	0.2619	0.3101
Echinococcus multilocularis	neuropeptide receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0141	0.2619	0.4423
Echinococcus multilocularis	thymidylate synthase	0.0211	0.5922	0.7012
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0141	0.2619	0.3101
Echinococcus granulosus	G protein coupled receptor 139	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	Dopamine receptor protein 2	0.0141	0.2619	0.3101
Echinococcus granulosus	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Schistosoma mansoni	amine GPCR	0.0141	0.2619	0.4423
Schistosoma mansoni	hypothetical protein	0.0141	0.2619	0.4423
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0141	0.2619	0.4423
Brugia malayi	G protein-coupled receptor F59B2.13	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	neuropeptide Y receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	amine GPCR	0.0141	0.2619	0.4423
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0141	0.2619	0.3101
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0141	0.2619	0.3101
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus multilocularis	g-protein coupled receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0141	0.2619	0.4423
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0141	0.2619	0.4423
Echinococcus granulosus	neuropeptides capa receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	serotonin receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0141	0.2619	0.4423
Echinococcus granulosus	neuropeptide FF receptor 2	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	Melatonin receptor type 1A	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	fmrfamide receptor	0.0141	0.2619	0.3101
Brugia malayi	putative neuropeptide receptor NPR1	0.0141	0.2619	0.3101
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0211	0.5922	1
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0297	1	0.5
Mycobacterium ulcerans	thymidylate synthase	0.0211	0.5922	1
Schistosoma mansoni	amine GPCR	0.0141	0.2619	0.4423
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	neuropeptide receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	neuropeptide Y receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	g protein coupled receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0141	0.2619	0.3101
Schistosoma mansoni	neuropeptide f receptor 76f	0.0141	0.2619	0.4423
Schistosoma mansoni	histamine h1 receptor	0.0141	0.2619	0.4423
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	thymidylate synthase	0.0211	0.5922	0.7012
Brugia malayi	putative neuropeptide receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	biogenic amine receptor	0.0141	0.2619	0.4423
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0141	0.2619	0.4423
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus granulosus	biogenic amine 5HT receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus granulosus	tm gpcr rhodopsin	0.0141	0.2619	0.3101
Loa Loa (eye worm)	TYRA-2 protein	0.0141	0.2619	0.3101
Schistosoma mansoni	neuropeptide receptor	0.0141	0.2619	0.4423
Echinococcus multilocularis	fmrfamide receptor	0.0141	0.2619	0.3101
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	neuropeptides capa receptor	0.0141	0.2619	0.3101
Brugia malayi	RE15519p	0.0141	0.2619	0.3101
Brugia malayi	AKH receptor	0.0141	0.2619	0.3101
Mycobacterium tuberculosis	Hypothetical protein	0.01	0.068	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	G-protein coupled receptor	0.0141	0.2619	0.3101
Brugia malayi	Serotonin receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	neuropeptide F-like receptor	0.0141	0.2619	0.4423
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0141	0.2619	0.3101
Echinococcus multilocularis	g protein coupled receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0141	0.2619	0.4423
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0141	0.2619	0.4423
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Echinococcus multilocularis	orexin receptor type 2	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	neuropeptide receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	allatostatin A receptor	0.0141	0.2619	0.3101
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0297	1	0.5
Schistosoma mansoni	biogenic amine receptor	0.0141	0.2619	0.4423
Echinococcus multilocularis	neuropeptides capa receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Chlamydia trachomatis	dihydrofolate reductase	0.0086	0	0.5
Echinococcus multilocularis	somatostatin receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0141	0.2619	0.3101
Echinococcus granulosus	neuropeptide Y receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	dro:myosuppressin receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus granulosus	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus granulosus	g protein coupled receptor	0.0141	0.2619	0.3101
Brugia malayi	G protein-coupled receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0141	0.2619	0.3101
Brugia malayi	Dopamine receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0264	0.8446	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Schistosoma mansoni	adenoreceptor	0.0141	0.2619	0.4423
Schistosoma mansoni	myosin xvIII	0.0141	0.2619	0.4423
Echinococcus granulosus	neuropeptide s receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Schistosoma mansoni	neuropeptide receptor	0.0141	0.2619	0.4423
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0141	0.2619	0.4423
Echinococcus granulosus	g protein coupled receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0264	0.8446	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	neuropeptide receptor A26	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	neuropeptide receptor	0.0141	0.2619	0.4423
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Loa Loa (eye worm)	thymidylate synthase	0.0211	0.5922	0.7012
Brugia malayi	Dopamine receptor protein 1	0.0141	0.2619	0.3101
Schistosoma mansoni	growth hormone secretagogue receptor	0.0141	0.2619	0.4423
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0141	0.2619	0.4423
Echinococcus granulosus	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus multilocularis	allatostatin A receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0141	0.2619	0.3101
Loa Loa (eye worm)	G-protein coupled receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0141	0.2619	0.3101
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0297	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	amine GPCR	0.0141	0.2619	0.4423
Echinococcus granulosus	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	amine GPCR	0.0141	0.2619	0.4423
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	opsin-like receptor	0.0141	0.2619	0.4423
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0141	0.2619	0.4423
Loa Loa (eye worm)	G-protein coupled receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	neuropeptide F receptor	0.0141	0.2619	0.3101
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0141	0.2619	0.3101
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0141	0.2619	0.3101
Brugia malayi	follicle stimulating hormone receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.068	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0141	0.2619	0.3101
Schistosoma mansoni	hypothetical protein	0.0141	0.2619	0.4423
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	opsin-like receptor	0.0141	0.2619	0.4423
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0141	0.2619	0.3101
Echinococcus multilocularis	G protein coupled receptor 139	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0141	0.2619	0.3101
Echinococcus multilocularis	neuropeptide receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	orexin receptor type 2	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Schistosoma mansoni	neuropeptide receptor	0.0141	0.2619	0.4423
Echinococcus multilocularis	neuropeptide s receptor	0.0141	0.2619	0.3101
Echinococcus multilocularis	neuropeptide Y receptor	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	ORL1-like opioid receptor	0.0141	0.2619	0.3101
Brugia malayi	neuropeptide F receptor	0.0141	0.2619	0.3101
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0297	1	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0141	0.2619	0.3101
Echinococcus multilocularis	serotonin receptor	0.0141	0.2619	0.3101
Brugia malayi	neuropeptide F receptor	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Brugia malayi	G-protein coupled receptor	0.0141	0.2619	0.3101
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0141	0.2619	0.3101
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0211	0.5922	1
Brugia malayi	larval opioid receptor	0.0141	0.2619	0.3101
Echinococcus granulosus	tm gpcr rhodopsin	0.0141	0.2619	0.3101
Echinococcus multilocularis	survival motor neuron protein 1	0.0264	0.8446	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0141	0.2619	0.3101
Brugia malayi	sulfakinin receptor protein	0.0141	0.2619	0.3101
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Echinococcus granulosus	neuropeptide receptor A26	0.0141	0.2619	0.3101
Echinococcus granulosus	g protein coupled receptor	0.0141	0.2619	0.3101
Schistosoma mansoni	hypothetical protein	0.0141	0.2619	0.4423
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0141	0.2619	0.3101
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0141	0.2619	0.4423
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0141	0.2619	0.3101
Brugia malayi	hypothetical protein	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0211	0.5922	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0141	0.2619	0.4423
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0141	0.2619	0.4423
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0141	0.2619	0.3101
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2619	0.3101
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0141	0.2619	0.3101

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.038 nM	Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as elevation in cAMP levels	ChEMBL.	17897826
EC50 (functional)	= 0.038 nM	Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as elevation in cAMP levels	ChEMBL.	17897826
Ratio EC50 (binding)	= 1526	Ratio of EC50 for human recombinant adrenergic beta2 receptor to EC50 for human recombinant adrenergic beta1 receptor	ChEMBL.	17897826

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: CHEMBL391006
PubChem: 10027868

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 444986