TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 429.554 | Formula: C27H31N3O2
H donors: 1 H acceptors: 2 LogP: 2.98 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OCc1ccc(cc1)Cn1cc2c3c1cccc3C(=O)N(CC2)CC12CCN(CC1)CC2
InChi: 1S/C27H31N3O2/c31-18-21-6-4-20(5-7-21)16-30-17-22-8-12-29(19-27-9-13-28(14-10-27)15-11-27)26(32)23-2-1-3-24(30)25(22)23/h1-7,17,31H,8-16,18-19H2
InChiKey: HFEFUMDVHZMGPE-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 3A, ionotropic	Starlite/ChEMBL	No 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
Brugia malayi	Cation transporter family protein	5-hydroxytryptamine (serotonin) receptor 3A, ionotropic	484 aa	469 aa	28.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0036	0.0439	0.0439
Trypanosoma cruzi	AMP deaminase, putative	0.0033	0	0.5
Schistosoma mansoni	hypothetical protein	0.0036	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Brugia malayi	neuropeptide F receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0103	1	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Schistosoma mansoni	neuropeptide f receptor 76f	0.0036	0.0439	0.0439
Echinococcus multilocularis	g-protein coupled receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	opsin-like receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	neuropeptide Y receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	tm gpcr rhodopsin	0.0036	0.0439	0.0439
Echinococcus granulosus	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus multilocularis	allatostatin A receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	fmrfamide receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	neuropeptide F receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus granulosus	g-protein coupled receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0036	0.0439	0.0439
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0036	0.0439	0.0439
Schistosoma mansoni	amine GPCR	0.0036	0.0439	0.0439
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Trypanosoma cruzi	adenosine monophosphate deaminase, putative	0.0033	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine receptor	0.0036	0.0439	0.0439
Brugia malayi	Serotonin receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Schistosoma mansoni	adenosine deaminase-related	0.0103	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Brugia malayi	ORL1-like opioid receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Schistosoma mansoni	amine GPCR	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0069	0.5169	0.5169
Echinococcus granulosus	g protein coupled receptor	0.0036	0.0439	0.0439
Brugia malayi	G protein-coupled receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	G protein coupled receptor 139	0.0036	0.0439	0.0439
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0103	1	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0036	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Leishmania major	adenine aminohydrolase	0.0103	1	1
Echinococcus granulosus	neuropeptide receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Trypanosoma cruzi	AMP deaminase 2, putative	0.0033	0	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0036	0.0439	0.0439
Brugia malayi	RE15519p	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus granulosus	biogenic amine 5HT receptor	0.0036	0.0439	0.0439
Treponema pallidum	adenosine deaminase	0.0103	1	0.5
Brugia malayi	Dopamine receptor protein 1	0.0036	0.0439	0.0439
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0036	0.0439	0.0439
Plasmodium falciparum	adenosine deaminase	0.0103	1	1
Schistosoma mansoni	opsin-like receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	somatostatin receptor	0.0036	0.0439	0.0439
Brugia malayi	G-protein coupled receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0069	0.5169	0.5169
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0036	0.0439	0.0439
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0036	0.0439	0.0439
Trypanosoma cruzi	adenosine monophosphate deaminase-like protein, putative	0.0033	0	0.5
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	neuropeptide receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	hypothetical protein	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	melatonin receptor type 1A	0.0036	0.0439	0.0439
Echinococcus multilocularis	g protein coupled receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	neuropeptide F receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	amine GPCR	0.0036	0.0439	0.0439
Echinococcus granulosus	neuropeptide s receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Schistosoma mansoni	growth hormone secretagogue receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	neuropeptide receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	neuropeptide receptor	0.0036	0.0439	0.0439
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.0103	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Brugia malayi	follicle stimulating hormone receptor	0.0036	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0036	0.0439	0.0439
Brugia malayi	neuropeptide F receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	somatostatin receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Brugia malayi	Melatonin receptor type 1A	0.0036	0.0439	0.0439
Trichomonas vaginalis	adenosine deaminase, putative	0.0103	1	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0036	0.0439	0.0439
Echinococcus multilocularis	g protein coupled receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Echinococcus multilocularis	sex peptide receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0036	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Plasmodium vivax	adenosine deaminase, putative	0.0103	1	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.5169	0.5169
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0036	0.0439	0.0439
Trypanosoma cruzi	AMP deaminase, putative	0.0033	0	0.5
Brugia malayi	Serotonin receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	neuropeptide receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0036	0.0439	0.0439
Brugia malayi	Dopamine receptor protein 2	0.0036	0.0439	0.0439
Echinococcus granulosus	tm gpcr rhodopsin	0.0036	0.0439	0.0439
Loa Loa (eye worm)	G-protein coupled receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	TYRA-2 protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Schistosoma mansoni	neuropeptide receptor	0.0036	0.0439	0.0439
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0036	0.0439	0.0439
Schistosoma mansoni	myosin xvIII	0.0036	0.0439	0.0439
Schistosoma mansoni	neuropeptide F-like receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Trypanosoma brucei	adenosine monophosphate deaminase, putative	0.0033	0	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Trypanosoma cruzi	AMP deaminase, putative	0.0033	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Schistosoma mansoni	adenoreceptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	neuropeptides capa receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	neuropeptide receptor A26	0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	g protein coupled receptor	0.0036	0.0439	0.0439
Onchocerca volvulus	Adenosine deaminase homolog	0.0103	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.0036	0.0439	0.0439
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	histamine h1 receptor	0.0036	0.0439	0.0439
Trichomonas vaginalis	adenosine deaminase, putative	0.0103	1	0.5
Trypanosoma brucei	AMP deaminase, putative	0.0033	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	allatostatin A receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	neuropeptide F-like receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus granulosus	tm gpcr rhodopsin	0.0036	0.0439	0.0439
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0036	0.0439	0.0439
Brugia malayi	G protein-coupled receptor F59B2.13	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	adenosine deaminase	0.0103	1	1
Mycobacterium ulcerans	adenosine deaminase	0.0103	1	0.5
Schistosoma mansoni	adenosine deaminase	0.0103	1	1
Echinococcus multilocularis	fmrfamide receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	7TM GPCR rhodopsin	0.0036	0.0439	0.0439
Echinococcus granulosus	g protein coupled receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0036	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Brugia malayi	G-protein coupled receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0036	0.0439	0.0439
Echinococcus granulosus	orexin receptor type 2	0.0036	0.0439	0.0439
Schistosoma mansoni	amine GPCR	0.0036	0.0439	0.0439
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Schistosoma mansoni	neuropeptide receptor	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	biogenic amine 5HT receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	G-protein coupled receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	dro:myosuppressin receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	serotonin receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Schistosoma mansoni	opsin-like receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Echinococcus granulosus	sex peptide receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	neuropeptides capa receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	serotonin receptor	0.0036	0.0439	0.0439
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0036	0.0439	0.0439
Echinococcus granulosus	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	G protein coupled receptor 139	0.0036	0.0439	0.0439
Brugia malayi	larval opioid receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	dro:myosuppressin receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0036	0.0439	0.0439
Trypanosoma cruzi	AMP deaminase, putative	0.0033	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus multilocularis	orexin receptor type 2	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0036	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Entamoeba histolytica	adenosine deaminase, putative	0.0103	1	1
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0069	0.5169	0.5169
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0036	0.0439	0.0439
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0036	0.0439	0.0439
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	amine GPCR	0.0036	0.0439	0.0439
Echinococcus granulosus	neuropeptides capa receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	g protein coupled receptor	0.0036	0.0439	0.0439
Brugia malayi	Dopamine receptor	0.0036	0.0439	0.0439
Brugia malayi	putative neuropeptide receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Entamoeba histolytica	adenosine deaminase, putative	0.0103	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0036	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus granulosus	serotonin receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0036	0.0439	0.0439
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.0103	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Trypanosoma cruzi	AMP deaminase, putative	0.0033	0	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0036	0.0439	0.0439
Schistosoma mansoni	biogenic amine receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0036	0.0439	0.0439
Echinococcus multilocularis	neuropeptide s receptor	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Brugia malayi	sulfakinin receptor protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0036	0.0439	0.0439
Echinococcus multilocularis	neuropeptide Y receptor	0.0036	0.0439	0.0439
Schistosoma mansoni	hypothetical protein	0.0036	0.0439	0.0439
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Brugia malayi	GnHR receptor homolog	0.0036	0.0439	0.0439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0036	0.0439	0.0439
Schistosoma mansoni	neuropeptide receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0103	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Trypanosoma brucei	AMP deaminase, putative	0.0033	0	0.5
Brugia malayi	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Trypanosoma brucei	AMP deaminase, putative	0.0033	0	0.5
Brugia malayi	AKH receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	rhodopsin orphan GPCR	0.0036	0.0439	0.0439
Echinococcus granulosus	neuropeptide Y receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	fmrfamide receptor	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Onchocerca volvulus		0.0036	0.0439	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0439
Echinococcus multilocularis	adenosine deaminase	0.0103	1	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0036	0.0439	0.0439
Echinococcus granulosus	7tm_1 domain containing protein	0.0036	0.0439	0.0439

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 8 nM	BindingDB_Patents: Radioligand Binding Assay. The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proximity assay (SPA) format. Test compounds were dissolved to 10 mM in 100% DMSO, then serially diluted at 10x assay concentrations in 100% DMSO in 96-well polypropylene plates and further diluted to 4x assay concentrations with the assay buffer. Samples were incubated in 50 mM Tris-HCl, pH 7.5, 3 mM MgCl2, 1 mM EDTA and 10% DMSO with 10 nM [9-methyl-3H]BRL-43694 (Perkin Elmer), 3 ug of human 5-HT3 receptor membranes (Perkin Elmer) and 0.5 mg/mL SPA beads (WGA PVT, Amersham Biosciences) in a final volume of 0.2 mL. Binding reactions were set up in wells of PicoPlates-96 (Perkin Elmer) by adding consecutively 50 uL of each competing compound or buffer, SPA beads, the radioligand and 5-HT3 receptor membranes. After an overnight incubation at room temperature on a Nutator mixer, plates were centrifuged for 15 min at 1,500 rpm.	ChEMBL.	No reference

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: CHEMBL3673249

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1976241