TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 648.877 | Formula: C41H52N4O3
H donors: 2 H acceptors: 3 LogP: 7.1 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(C1)CC1CCCCC1
InChi: 1S/C41H52N4O3/c46-38(42-28-33-17-13-25-44(31-33)30-32-15-5-1-6-16-32)29-43-40(48)37-24-14-26-45(37)39(47)27-41(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33,37H,1,5-6,13-17,24-31H2,(H,42,46)(H,43,48)/t33?,37-/m0/s1
InChiKey: GVTZHKIAVNUTSV-NYZBEGEVSA-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

No curated genes were found associated with this compound

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	0.0172	0.2171	0.2177
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0172	0.2171	0.2067
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0172	0.2171	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0172	0.2171	0.3143
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0172	0.2171	0.2177
Echinococcus granulosus	somatostatin receptor	0.0172	0.2171	0.3143
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0078	0.0717	0.5
Schistosoma mansoni	hypothetical protein	0.0172	0.2171	0.2067
Brugia malayi	Melatonin receptor type 1A	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus granulosus	neuropeptides capa receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus granulosus	g protein coupled receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	G protein coupled receptor 139	0.0172	0.2171	0.3143
Schistosoma mansoni	opsin-like receptor	0.0172	0.2171	0.2067
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0172	0.2171	0.3143
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0172	0.2171	0.3143
Schistosoma mansoni	biogenic amine receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0172	0.2171	0.2067
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0078	0.0717	0.0594
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0717	0.0719
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Brugia malayi	G protein-coupled receptor F59B2.13	0.0172	0.2171	0.3143
Mycobacterium ulcerans	carboxylesterase, LipT	0.0078	0.0717	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus granulosus	neuropeptide receptor A26	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Loa Loa (eye worm)	carboxylesterase	0.0078	0.0717	0.0719
Brugia malayi	RE15519p	0.0172	0.2171	0.3143
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0078	0.0717	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus multilocularis	neuropeptide Y receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0172	0.2171	0.3143
Echinococcus granulosus	tm gpcr rhodopsin	0.0172	0.2171	0.3143
Echinococcus granulosus	BC026374 protein S09 family	0.0078	0.0717	0.0961
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Loa Loa (eye worm)	acetylcholinesterase 1	0.0464	0.6738	0.6756
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0172	0.2171	0.3143
Echinococcus granulosus	acetylcholinesterase	0.0464	0.6738	1
Schistosoma mansoni	neuropeptide receptor	0.0172	0.2171	0.2067
Echinococcus granulosus	neuropeptide receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Brugia malayi	neuropeptide F receptor	0.0172	0.2171	0.3143
Brugia malayi	Serotonin receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	sex peptide receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	g-protein coupled receptor	0.0172	0.2171	0.3143
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0172	0.2171	0.3143
Echinococcus granulosus	serotonin receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Schistosoma mansoni	amine GPCR	0.0172	0.2171	0.2067
Echinococcus multilocularis	sex peptide receptor	0.0172	0.2171	0.3143
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0172	0.2171	0.2067
Echinococcus granulosus	dro:myosuppressin receptor	0.0172	0.2171	0.3143
Onchocerca volvulus		0.0172	0.2171	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0172	0.2171	0.3143
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0172	0.2171	0.2067
Brugia malayi	Dopamine receptor protein 1	0.0172	0.2171	0.3143
Echinococcus multilocularis	neuropeptide receptor	0.0172	0.2171	0.3143
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0078	0.0717	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0717	0.0719
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Echinococcus multilocularis	somatostatin receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0172	0.2171	0.3143
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus multilocularis	g protein coupled receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0172	0.2171	0.3143
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0172	0.2171	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0172	0.2171	0.3143
Echinococcus multilocularis	neuropeptides capa receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0717	0.0719
Brugia malayi	Dopamine receptor protein 2	0.0172	0.2171	0.3143
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0078	0.0717	0.0961
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Schistosoma mansoni	opsin-like receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	neuropeptide f receptor 76f	0.0172	0.2171	0.2067
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Onchocerca volvulus		0.0172	0.2171	1
Brugia malayi	Carboxylesterase family protein	0.0464	0.6738	1
Echinococcus multilocularis	acetylcholinesterase	0.0464	0.6738	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Brugia malayi	Carboxylesterase family protein	0.0078	0.0717	0.0961
Echinococcus granulosus	neuropeptides capa receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	neuropeptide FF receptor 2	0.0172	0.2171	0.3143
Schistosoma mansoni	adenoreceptor	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0172	0.2171	0.3143
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0172	0.2171	0.2177
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0717	0.0719
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0078	0.0717	0.5
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Loa Loa (eye worm)	carboxylesterase	0.0464	0.6738	0.6756
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Onchocerca volvulus		0.0172	0.2171	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0172	0.2171	0.2177
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0078	0.0717	0.0961
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0172	0.2171	0.3143
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0172	0.2171	0.3143
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Schistosoma mansoni	myosin xvIII	0.0172	0.2171	0.2067
Brugia malayi	Carboxylesterase family protein	0.0078	0.0717	0.0961
Echinococcus granulosus	neuropeptide receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	neuropeptide F receptor	0.0172	0.2171	0.2177
Echinococcus granulosus	allatostatin A receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	neuropeptide receptor A26	0.0172	0.2171	0.3143
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus granulosus	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0172	0.2171	0.3143
Echinococcus multilocularis	g protein coupled receptor	0.0172	0.2171	0.3143
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	amine GPCR	0.0172	0.2171	0.2067
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0172	0.2171	0.3143
Echinococcus granulosus	fmrfamide receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	hypothetical protein	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0672	0.9974	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	histamine h1 receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	neuropeptide receptor	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0672	0.9974	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0172	0.2171	0.3143
Schistosoma mansoni	neuropeptide F-like receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0078	0.0717	0.0594
Echinococcus granulosus	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0717	0.0719
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0172	0.2171	0.3143
Onchocerca volvulus		0.0172	0.2171	1
Brugia malayi	Dopamine receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	neuroligin	0.0078	0.0717	0.0961
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0172	0.2171	0.3143
Brugia malayi	ORL1-like opioid receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Schistosoma mansoni	gliotactin	0.0078	0.0717	0.0594
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus multilocularis	serotonin receptor	0.0172	0.2171	0.3143
Onchocerca volvulus		0.0172	0.2171	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0078	0.0717	0.0594
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus multilocularis	neuropeptide s receptor	0.0172	0.2171	0.3143
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Schistosoma mansoni	acetylcholinesterase	0.0078	0.0717	0.0594
Brugia malayi	neuropeptide F receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	serotonin receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	biogenic amine receptor	0.0172	0.2171	0.2067
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0172	0.2171	0.3143
Brugia malayi	GnHR receptor homolog	0.0172	0.2171	0.3143
Echinococcus granulosus	7TM GPCR rhodopsin	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Echinococcus granulosus	tm gpcr rhodopsin	0.0172	0.2171	0.3143
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0172	0.2171	0.2067
Echinococcus multilocularis	g protein coupled receptor	0.0172	0.2171	0.3143
Brugia malayi	Carboxylesterase family protein	0.0464	0.6738	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	amine GPCR	0.0172	0.2171	0.2067
Onchocerca volvulus		0.0172	0.2171	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0172	0.2171	0.2067
Brugia malayi	putative neuropeptide receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	para nitrobenzyl esterase	0.0078	0.0717	0.0961
Brugia malayi	putative neuropeptide receptor NPR1	0.0172	0.2171	0.3143
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Echinococcus multilocularis	dro:myosuppressin receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	allatostatin A receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	BC026374 protein (S09 family)	0.0078	0.0717	0.0594
Echinococcus multilocularis	neuroligin	0.0078	0.0717	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Echinococcus multilocularis	neuropeptide Y receptor	0.0172	0.2171	0.3143
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0078	0.0717	0.0594
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0172	0.2171	0.2177
Brugia malayi	Carboxylesterase family protein	0.0078	0.0717	0.0961
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0172	0.2171	0.3143
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	biogenic amine 5HT receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	TYRA-2 protein	0.0172	0.2171	0.2177
Loa Loa (eye worm)	neuropeptide F receptor	0.0172	0.2171	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0172	0.2171	0.2067
Schistosoma mansoni	neuropeptide F-like receptor	0.0172	0.2171	0.2067
Echinococcus granulosus	7tm_1 domain containing protein	0.0172	0.2171	0.3143
Loa Loa (eye worm)	carboxylesterase	0.0078	0.0717	0.0719
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0172	0.2171	0.3143
Echinococcus granulosus	G protein coupled receptor 139	0.0172	0.2171	0.3143
Schistosoma mansoni	growth hormone secretagogue receptor	0.0172	0.2171	0.2067
Echinococcus granulosus	orexin receptor type 2	0.0172	0.2171	0.3143
Loa Loa (eye worm)	melatonin receptor type 1A	0.0172	0.2171	0.2177
Echinococcus granulosus	carboxylesterase 5A	0.0464	0.6738	1
Brugia malayi	Serotonin receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0172	0.2171	0.3143
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0464	0.6738	0.6695
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0172	0.2171	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0464	0.6738	0.6756
Schistosoma mansoni	hypothetical protein	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Brugia malayi	sulfakinin receptor protein	0.0172	0.2171	0.3143
Echinococcus granulosus	tm gpcr rhodopsin	0.0172	0.2171	0.3143
Schistosoma mansoni	amine GPCR	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0172	0.2171	0.2067
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0172	0.2171	0.3143
Schistosoma mansoni	biogenic amine receptor	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus granulosus	g protein coupled receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	para nitrobenzyl esterase	0.0078	0.0717	0.0961
Onchocerca volvulus		0.0172	0.2171	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0172	0.2171	0.3143
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	hypothetical protein	0.0172	0.2171	0.2067
Schistosoma mansoni	neuropeptide receptor	0.0172	0.2171	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0717	0.0719
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus multilocularis	neuropeptide receptor	0.0172	0.2171	0.3143
Schistosoma mansoni	neuropeptide receptor	0.0172	0.2171	0.2067
Echinococcus granulosus	neuropeptide s receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0717	0.0719
Echinococcus multilocularis	fmrfamide receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	G-protein coupled receptor	0.0172	0.2171	0.2177
Echinococcus granulosus	neuropeptide Y receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	g-protein coupled receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Echinococcus multilocularis	acetylcholinesterase	0.0464	0.6738	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Onchocerca volvulus		0.0172	0.2171	1
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Echinococcus granulosus	g protein coupled receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0464	0.6738	0.6756
Brugia malayi	G protein-coupled receptor	0.0172	0.2171	0.3143
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0172	0.2171	0.2067
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0172	0.2171	0.2067
Echinococcus multilocularis	orexin receptor type 2	0.0172	0.2171	0.3143
Brugia malayi	larval opioid receptor	0.0172	0.2171	0.3143
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0172	0.2171	0.3143
Echinococcus multilocularis	fmrfamide receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0172	0.2171	0.3143
Brugia malayi	G-protein coupled receptor	0.0172	0.2171	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Brugia malayi	hypothetical protein	0.0078	0.0717	0.0961
Schistosoma mansoni	hypothetical protein	0.0172	0.2171	0.2067
Echinococcus multilocularis	neuropeptides capa receptor	0.0172	0.2171	0.3143
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0078	0.0717	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0172	0.2171	0.2067
Brugia malayi	G-protein coupled receptor	0.0172	0.2171	0.3143
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Echinococcus multilocularis	carboxylesterase 5A	0.0464	0.6738	1
Brugia malayi	AKH receptor	0.0172	0.2171	0.3143
Onchocerca volvulus		0.0172	0.2171	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0172	0.2171	0.3143
Schistosoma mansoni	opsin-like receptor	0.0172	0.2171	0.2067
Brugia malayi	hypothetical protein	0.0172	0.2171	0.3143
Trichomonas vaginalis	spcc417.12 protein, putative	0.0078	0.0717	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2171	0.2177
Brugia malayi	follicle stimulating hormone receptor	0.0172	0.2171	0.3143
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0172	0.2171	0.3143
Loa Loa (eye worm)	G-protein coupled receptor	0.0172	0.2171	0.2177
Echinococcus granulosus	acetylcholinesterase	0.0464	0.6738	1
Echinococcus granulosus	neuropeptide Y receptor	0.0172	0.2171	0.3143
Brugia malayi	Carboxylesterase family protein	0.0078	0.0717	0.0961

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2.2 nM	Binding affinity (Ki) against binding of [3H]-NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3	ChEMBL.	11831911
Ki (binding)	= 13 nM	Binding affinity (Ki) against binding of [3H]-NMS to membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M2	ChEMBL.	11831911
Ki (binding)	= 43 nM	Binding affinity (Ki) against binding of [3H]-NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M4	ChEMBL.	11831911
Ki (binding)	= 150 nM	Binding affinity (Ki) against binding of [3H]-NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M1	ChEMBL.	11831911
Ki (binding)	= 2000 nM	Binding affinity (Ki) against binding of [3H]-NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5	ChEMBL.	11831911
Selectivity (binding)	= 5.7	Selectivity ratio of the compound (m2/m3)	ChEMBL.	11831911
Selectivity (binding)	= 19	Selectivity ratio of the compound (m4/m3)	ChEMBL.	11831911
Selectivity (binding)	= 66	Selectivity ratio of the compound (m1/m3)	ChEMBL.	11831911
Selectivity (binding)	= 890	Selectivity ratio of the compound (m5/m3)	ChEMBL.	11831911

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: 395069

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 310818