TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 636.84 | Formula: C33H52N2O8S
H donors: 6 H acceptors: 7 LogP: 2.19 Rotable bonds: 19
Rule of 5 violations (Lipinski): 3
SMILES: CC(=O)O.OCc1cc(ccc1O)[C@H](CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)NC1CCCCC1)O
InChi: 1S/C31H48N2O6S.C2H4O2/c34-24-27-22-26(16-17-30(27)35)31(36)23-32-18-7-1-2-8-19-39-20-9-6-11-25-12-10-15-29(21-25)40(37,38)33-28-13-4-3-5-14-28;1-2(3)4/h10,12,15-17,21-22,28,31-36H,1-9,11,13-14,18-20,23-24H2;1H3,(H,3,4)/t31-;/m0./s1
InChiKey: BKRQPAVUGJZATC-YNMZEGNTSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	adrenoceptor beta 2, surface	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor beta 1	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor beta 3	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)	G-protein-linked acetylcholine receptor protein 2	0.0009	0.0154	0.003
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0443	0.0323
Echinococcus granulosus	ETS transcription factor Elf 5	0.0011	0.0272	0.049
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1986	0.1986
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0009	0.0154	0.0154
Echinococcus granulosus	neuropeptide receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	DNA-binding protein D-ETS-3	0.0011	0.0272	0.015
Echinococcus granulosus	serotonin receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	ETS transcription factor Elf 2	0.0011	0.0272	0.049
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0009	0.0154	0.0154
Loa Loa (eye worm)	fli-1 protein	0.0238	1	1
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0208	0.0277
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1986	0.6156
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus granulosus	somatostatin receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0067	0.2661	0.2569
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Schistosoma mansoni	hypothetical protein	0.0011	0.0272	0.0272
Echinococcus granulosus	tm gpcr rhodopsin	0.0009	0.0154	0.0099
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0478	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0009	0.0154	0.0099
Echinococcus granulosus	biogenic amine 5HT receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0009	0.0154	0.0154
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1867	0.1765
Echinococcus granulosus	7TM GPCR rhodopsin	0.0009	0.0154	0.0099
Schistosoma mansoni	neuropeptide f receptor 76f	0.0009	0.0154	0.0154
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Brugia malayi	RE15519p	0.0009	0.0154	0.003
Schistosoma mansoni	opsin-like receptor	0.0009	0.0154	0.0154
Schistosoma mansoni	opsin-like receptor	0.0009	0.0154	0.0154
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0009	0.0154	0.0099
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	serotonin receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	neuropeptides capa receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	histamine h1 receptor	0.0009	0.0154	0.0154
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0208	0.0085
Echinococcus granulosus	fmrfamide receptor	0.0009	0.0154	0.0099
Echinococcus granulosus	GA binding protein alpha chain	0.0078	0.3149	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	g protein coupled receptor	0.0009	0.0154	0.0099
Echinococcus granulosus	neuropeptide FF receptor 2	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Echinococcus multilocularis	neuropeptide Y receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	Dopamine receptor protein 2	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0272	0.015
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0443	0.1055
Schistosoma mansoni	Smad4	0.0008	0.0124	0.0124
Schistosoma mansoni	DNA helicase recq1	0.001	0.0208	0.0208
Loa Loa (eye worm)	D-ets-2 protein	0.0011	0.0272	0.015
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Schistosoma mansoni	biogenic amine receptor	0.0009	0.0154	0.0154
Brugia malayi	AKH receptor	0.0009	0.0154	0.003
Brugia malayi	G-protein coupled receptor	0.0009	0.0154	0.003
Schistosoma mansoni	gabp alpha	0.0078	0.3149	0.3149
Schistosoma mansoni	hypothetical protein	0.0015	0.0443	0.0443
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Echinococcus granulosus	ETS transcription factor Elf 2	0.0011	0.0272	0.049
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0332	0.5
Onchocerca volvulus		0.0009	0.0154	0.5
Echinococcus granulosus	GPCR family 2	0.0015	0.0443	0.1055
Loa Loa (eye worm)	G-protein coupled receptor	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0009	0.0154	0.003
Echinococcus granulosus	hypothetical protein	0.0009	0.0154	0.0099
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	Serotonin receptor	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	ets-domain-containing protein	0.0011	0.0272	0.015
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0124	0.0124
Brugia malayi	Dopamine receptor	0.0009	0.0154	0.003
Brugia malayi	follicle stimulating hormone receptor	0.0009	0.0154	0.003
Schistosoma mansoni	hypothetical protein	0.0009	0.0154	0.0154
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0009	0.0154	0.003
Onchocerca volvulus		0.0009	0.0154	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0009	0.0154	0.003
Echinococcus granulosus	g-protein coupled receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.081	0.0695
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1867	0.1765
Echinococcus granulosus	7tm_1 domain containing protein	0.0009	0.0154	0.0099
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0009	0.0154	0.0099
Echinococcus granulosus	tm gpcr rhodopsin	0.0009	0.0154	0.0099
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Echinococcus multilocularis	g-protein coupled receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0009	0.0154	0.0154
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0332	0.5
Echinococcus granulosus	ETS transcription factor Elf 2	0.0011	0.0272	0.049
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Echinococcus granulosus	sex peptide receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	hypothetical protein	0.0015	0.0443	0.0443
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1986	0.1986
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0009	0.0154	0.5
Brugia malayi	GnHR receptor homolog	0.0009	0.0154	0.003
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Schistosoma mansoni	smad	0.0008	0.0124	0.0124
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0332	0.5
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0011	0.0272	0.015
Echinococcus multilocularis	neuropeptide receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0009	0.0154	0.0154
Echinococcus granulosus	dro:myosuppressin receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0009	0.0154	0.0099
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.4772	0.4706
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1986	0.6156
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0009	0.0154	0.0099
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0078	0.3149	0.3063
Schistosoma mansoni	hypothetical protein	0.0015	0.0443	0.0443
Onchocerca volvulus		0.0009	0.0154	0.5
Schistosoma mansoni	hypothetical protein	0.0009	0.0154	0.0154
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Brugia malayi	G-protein coupled receptor	0.0009	0.0154	0.003
Schistosoma mansoni	ets-related	0.0011	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0009	0.0154	0.0099
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0009	0.0154	0.0099
Schistosoma mansoni	myosin xvIII	0.0009	0.0154	0.0154
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	sex peptide receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	protein C ets 2	0.0011	0.0272	0.049
Echinococcus multilocularis	dro:myosuppressin receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	ets variant gene 4	0.0011	0.0272	0.049
Schistosoma mansoni	DNA helicase recq5	0.001	0.0208	0.0208
Schistosoma mansoni	amine GPCR	0.0009	0.0154	0.0154
Echinococcus granulosus	neuropeptide receptor	0.0009	0.0154	0.0099
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0208	0.4422
Schistosoma mansoni	amine GPCR	0.0009	0.0154	0.0154
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0009	0.0154	0.0154
Echinococcus granulosus	g protein coupled receptor	0.0009	0.0154	0.0099
Echinococcus granulosus	orexin receptor type 2	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Schistosoma mansoni	hypothetical protein	0.0015	0.0443	0.0443
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Loa Loa (eye worm)	TYRA-2 protein	0.0009	0.0154	0.003
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Echinococcus granulosus	g protein coupled receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	neuropeptide F receptor	0.0009	0.0154	0.003
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0594	0.0594
Schistosoma mansoni	amine GPCR	0.0009	0.0154	0.0154
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0009	0.0154	0.0099
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0124	0.0124
Onchocerca volvulus		0.0009	0.0154	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0009	0.0154	0.0099
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.047	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0009	0.0154	0.0154
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Brugia malayi	sulfakinin receptor protein	0.0009	0.0154	0.003
Echinococcus granulosus	G protein coupled receptor 139	0.0009	0.0154	0.0099
Schistosoma mansoni	neuropeptide receptor	0.0009	0.0154	0.0154
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0208	0.4422
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0009	0.0154	0.0099
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.1986	0.1886
Onchocerca volvulus		0.0009	0.0154	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0009	0.0154	0.0099
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0208	0.0085
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0332	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0009	0.0154	0.003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1986	0.1986
Brugia malayi	Ets-domain containing protein	0.0078	0.3149	0.3063
Echinococcus multilocularis	neuropeptides capa receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0009	0.0154	0.0154
Onchocerca volvulus		0.0009	0.0154	0.5
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0443	0.1055
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0009	0.0154	0.0154
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0272	0.015
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0009	0.0154	0.0099
Echinococcus multilocularis	somatostatin receptor	0.0009	0.0154	0.0099
Echinococcus granulosus	ewsr:fli fusion protein type	0.0011	0.0272	0.049
Echinococcus granulosus	ETS domain containing protein Elk 1	0.0011	0.0272	0.049
Brugia malayi	Ets-domain containing protein	0.0078	0.3149	0.3063
Echinococcus multilocularis	fmrfamide receptor	0.0009	0.0154	0.0099
Onchocerca volvulus		0.0009	0.0154	0.5
Schistosoma mansoni	neuropeptide receptor	0.0009	0.0154	0.0154
Brugia malayi	Melatonin receptor type 1A	0.0009	0.0154	0.003
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1867	0.1765
Echinococcus granulosus	neuropeptide s receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0124	0.0124
Schistosoma mansoni	amine GPCR	0.0009	0.0154	0.0154
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0443	0.1055
Echinococcus multilocularis	neuropeptide receptor	0.0009	0.0154	0.0099
Echinococcus granulosus	neuropeptides capa receptor	0.0009	0.0154	0.0099
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0443	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	G-protein coupled receptor	0.0009	0.0154	0.003
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.081	0.2269
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0124	0.0124
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0009	0.0154	0.0099
Echinococcus granulosus	neuropeptide receptor A26	0.0009	0.0154	0.0099
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0443	0.0323
Brugia malayi	larval opioid receptor	0.0009	0.0154	0.003
Brugia malayi	neuropeptide F receptor	0.0009	0.0154	0.003
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	ETS transcription factor Elf 1	0.0011	0.0272	0.049
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0443	0.0323
Schistosoma mansoni	polyomavirus enhancer activator 3 pea3	0.0011	0.0272	0.0272
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0208	0.0277
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0009	0.0154	0.003
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0009	0.0154	0.003
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0208	0.0277
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Brugia malayi	MH2 domain containing protein	0.0116	0.4772	0.4706
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0443	0.1055
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0009	0.0154	0.0099
Schistosoma mansoni	biogenic amine receptor	0.0009	0.0154	0.0154
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.081	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0208	0.0085
Echinococcus granulosus	neuropeptide Y receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	amine GPCR	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	transcription factor E74 isoform	0.0011	0.0272	0.015
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0009	0.0154	0.0099
Echinococcus multilocularis	neuropeptide s receptor	0.0009	0.0154	0.0099
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0009	0.0154	0.003
Echinococcus multilocularis	g protein coupled receptor	0.0009	0.0154	0.0099
Brugia malayi	DNA-binding protein D-ETS-3	0.0011	0.0272	0.015
Echinococcus multilocularis	orexin receptor type 2	0.0009	0.0154	0.0099
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Onchocerca volvulus		0.0009	0.0154	0.5
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Onchocerca volvulus		0.0009	0.0154	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Echinococcus multilocularis	ETS transcription factor Elf 2	0.0011	0.0272	0.049
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0208	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0208	0.5
Brugia malayi	hypothetical protein	0.0009	0.0154	0.003
Onchocerca volvulus		0.0009	0.0154	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0009	0.0154	0.003
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1867	0.1765
Schistosoma mansoni	growth hormone secretagogue receptor	0.0009	0.0154	0.0154
Onchocerca volvulus		0.0009	0.0154	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1208	0.1098
Echinococcus multilocularis	GA binding protein alpha chain	0.0078	0.3149	1
Onchocerca volvulus		0.0009	0.0154	0.5
Brugia malayi	Ets-domain containing protein	0.0011	0.0272	0.015
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0009	0.0154	0.003
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.1986	0.1886
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0443	0.1055
Echinococcus multilocularis	G protein coupled receptor 139	0.0009	0.0154	0.0099
Echinococcus granulosus	protein C ets 2	0.0011	0.0272	0.049
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.4772	0.4706
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0009	0.0154	0.0154
Echinococcus multilocularis	g protein coupled receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	neuropeptide receptor A26	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0009	0.0154	0.0099
Onchocerca volvulus		0.0009	0.0154	0.5
Echinococcus multilocularis	serotonin receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0208	0.0085
Schistosoma mansoni	hypothetical protein	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.012	0.495	0.4886
Onchocerca volvulus		0.0009	0.0154	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Schistosoma mansoni	elf1	0.0011	0.0272	0.0272
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0009	0.0154	0.0099
Onchocerca volvulus		0.0009	0.0154	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0009	0.0154	0.0154
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0686	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus granulosus	bloom syndrome protein	0.0024	0.081	0.2269
Brugia malayi	G protein-coupled receptor	0.0009	0.0154	0.003
Echinococcus granulosus	g protein coupled receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	adenoreceptor	0.0009	0.0154	0.0154
Echinococcus multilocularis	ETS transcription factor Elf 5	0.0011	0.0272	0.049
Echinococcus multilocularis	ETS domain containing protein Elk 1	0.0011	0.0272	0.049
Echinococcus granulosus	ETS transcription factor Elf 1	0.0011	0.0272	0.049
Brugia malayi	putative neuropeptide receptor NPR1	0.0009	0.0154	0.003
Schistosoma mansoni	hypothetical protein	0.0011	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	Dopamine receptor protein 1	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0009	0.0154	0.0154
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0009	0.0154	0.0099
Schistosoma mansoni	hypothetical protein	0.0033	0.1208	0.1208
Brugia malayi	G protein-coupled receptor F59B2.13	0.0009	0.0154	0.003
Loa Loa (eye worm)	melatonin receptor type 1A	0.0009	0.0154	0.003
Onchocerca volvulus		0.0009	0.0154	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Schistosoma mansoni	ets	0.0011	0.0272	0.0272
Echinococcus granulosus	allatostatin A receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	ewsr:fli fusion protein type	0.0011	0.0272	0.049
Schistosoma mansoni	neuropeptide receptor	0.0009	0.0154	0.0154
Brugia malayi	ORL1-like opioid receptor	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	neuropeptide F receptor	0.0009	0.0154	0.003
Brugia malayi	putative neuropeptide receptor	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1208	0.1098
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.081	1
Onchocerca volvulus		0.0009	0.0154	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus granulosus	neuropeptides capa receptor	0.0009	0.0154	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus granulosus	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Schistosoma mansoni	neuropeptide F-like receptor	0.0009	0.0154	0.0154
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0009	0.0154	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0009	0.0154	0.0154
Schistosoma mansoni	neuropeptide receptor	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	Serotonin receptor	0.0009	0.0154	0.003
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0009	0.0154	0.0099
Schistosoma mansoni	ets-related	0.0238	1	1
Echinococcus granulosus	neuropeptide Y receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	hypothetical protein	0.0009	0.0154	0.0154
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1986	0.6156
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	RecQ helicase	0.0024	0.081	0.0695
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Echinococcus multilocularis	fmrfamide receptor	0.0009	0.0154	0.0099
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1986	0.6156
Echinococcus granulosus	biogenic amine 5HT receptor	0.0009	0.0154	0.0099
Schistosoma mansoni	biogenic amine receptor	0.0009	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0154	0.003
Brugia malayi	neuropeptide F receptor	0.0009	0.0154	0.003
Schistosoma mansoni	opsin-like receptor	0.0009	0.0154	0.0154

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 7	Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-galactosidase based whole cell assay	ChEMBL.	19317397
EC50 (functional)	= 7.3	Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-galactosidase based whole cell assay	ChEMBL.	19317397
EC50 (functional)	= 9.7	Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-galactosidase based whole cell assay	ChEMBL.	19317397
Intrinsic activity (functional)	= 0.57	Intrinsic activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-galactosidase based whole cell assay relative to isoprenaline	ChEMBL.	19317397

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: CHEMBL500782

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 914180