TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 179.219 | Formula: C9H13N3O
H donors: 0 H acceptors: 2 LogP: 0.83 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1onc(n1)[C@@H]1CN2C[C@H]1CC2
InChi: 1S/C9H13N3O/c1-6-10-9(11-13-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
InChiKey: ATMKRNOIEXCWPQ-HTQZYQBOSA-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
Rattus norvegicus	Muscarinic acetylcholine receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	growth hormone secretagogue receptor	Muscarinic acetylcholine receptor	466 aa	462 aa	19.9 %
Loa Loa (eye worm)	TYRA-2 protein	Muscarinic acetylcholine receptor	466 aa	497 aa	24.7 %
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	Muscarinic acetylcholine receptor	466 aa	461 aa	26.0 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Muscarinic acetylcholine receptor	466 aa	510 aa	29.8 %
Onchocerca volvulus		Muscarinic acetylcholine receptor	466 aa	472 aa	24.6 %
Schistosoma mansoni	biogenic amine receptor	Muscarinic acetylcholine receptor	466 aa	484 aa	24.4 %
Schistosoma mansoni	biogenic amine receptor	Muscarinic acetylcholine receptor	466 aa	463 aa	24.2 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Muscarinic acetylcholine receptor	466 aa	493 aa	34.7 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Muscarinic acetylcholine receptor	466 aa	459 aa	20.0 %
Echinococcus multilocularis	alpha 1A adrenergic receptor	Muscarinic acetylcholine receptor	466 aa	459 aa	21.1 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Muscarinic acetylcholine receptor	466 aa	505 aa	26.9 %
Schistosoma japonicum	Octopamine receptor, putative	Muscarinic acetylcholine receptor	466 aa	462 aa	26.8 %
Echinococcus granulosus	g protein coupled receptor	Muscarinic acetylcholine receptor	466 aa	480 aa	18.5 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Muscarinic acetylcholine receptor	466 aa	461 aa	23.9 %
Schistosoma japonicum	Octopamine receptor 1, putative	Muscarinic acetylcholine receptor	466 aa	412 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0106	0.2938	0.9851
Echinococcus granulosus	g-protein coupled receptor	0.0193	0.5778	0.9378
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Brugia malayi	G protein-coupled receptor	0.0193	0.5778	0.6007
Brugia malayi	glutaminase DH11.1	0.031	0.9559	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0193	0.5778	0.9378
Trypanosoma brucei	polo-like protein kinase	0.0107	0.2983	1
Schistosoma mansoni	neuropeptide receptor	0.0193	0.5778	0.6007
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0193	0.5778	0.6007
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.3899	0.4022
Loa Loa (eye worm)	glutaminase 2	0.031	0.9559	1
Schistosoma mansoni	hypothetical protein	0.0178	0.5292	0.5494
Loa Loa (eye worm)	neuropeptide F receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0107	0.2983	0.3055
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0193	0.5778	0.6007
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0323	1	1
Echinococcus multilocularis	neuropeptide receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	neuropeptides capa receptor	0.0193	0.5778	0.9378
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0193	0.5778	0.6007
Echinococcus multilocularis	fmrfamide receptor	0.0193	0.5778	0.9378
Echinococcus multilocularis	g protein coupled receptor	0.0193	0.5778	0.9378
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.2983	0.2958
Loa Loa (eye worm)	glutaminase	0.031	0.9559	1
Brugia malayi	Kinesin motor domain containing protein	0.0027	0.0374	0.0299
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0193	0.5778	0.6007
Onchocerca volvulus		0.0193	0.5778	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0193	0.5778	0.6007
Echinococcus multilocularis	neuropeptide receptor	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0106	0.2938	0.3008
Loa Loa (eye worm)	G-protein coupled receptor	0.0193	0.5778	0.6007
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus multilocularis	somatostatin receptor	0.0193	0.5778	0.9378
Echinococcus multilocularis	fmrfamide receptor	0.0193	0.5778	0.9378
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0193	0.5778	0.6007
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0193	0.5778	0.6007
Echinococcus granulosus	biogenic amine 5HT receptor	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0193	0.5778	0.6007
Echinococcus granulosus	neuropeptide Y receptor	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0106	0.2938	0.9839
Brugia malayi	sulfakinin receptor protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0107	0.2983	0.4769
Brugia malayi	hypothetical protein	0.0018	0.0109	0.0019
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0115	0.3244	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0437	0.0221
Schistosoma mansoni	biogenic amine receptor	0.0193	0.5778	0.6007
Echinococcus granulosus	orexin receptor type 2	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	tm gpcr rhodopsin	0.0193	0.5778	0.9378
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Brugia malayi	AKH receptor	0.0193	0.5778	0.6007
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.022	0.0738
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Schistosoma mansoni	opsin-like receptor	0.0193	0.5778	0.6007
Echinococcus granulosus	fmrfamide receptor	0.0193	0.5778	0.9378
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0193	0.5778	0.9378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Schistosoma mansoni	histamine h1 receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	melatonin receptor type 1A	0.0193	0.5778	0.6007
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.1343	0.1323
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.2983	0.2958
Entamoeba histolytica	kinesin, putative	0.0027	0.0374	0.0557
Schistosoma mansoni	DNA polymerase eta	0.0022	0.022	0.0137
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.2983	0.2958
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0193	0.5778	1
Schistosoma mansoni	biogenic amine receptor	0.0193	0.5778	0.6007
Schistosoma mansoni	amine GPCR	0.0193	0.5778	0.6007
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.2983	0.2958
Brugia malayi	hypothetical protein	0.0029	0.0437	0.0366
Trypanosoma brucei	unspecified product	0.0022	0.022	0.0738
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0193	0.5778	0.9378
Schistosoma mansoni	amine GPCR	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Onchocerca volvulus		0.0193	0.5778	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.022	0.0738
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0193	0.5778	0.9378
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.022	0.0214
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0193	0.5778	0.9378
Echinococcus granulosus	neuropeptide receptor A26	0.0193	0.5778	0.9378
Schistosoma mansoni	neuropeptide receptor	0.0193	0.5778	0.6007
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0106	0.2938	0.278
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1192	0.1163
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Brugia malayi	putative neuropeptide receptor	0.0193	0.5778	0.6007
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.123	0.1081
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0193	0.5778	0.9378
Echinococcus granulosus	G protein coupled receptor 139	0.0193	0.5778	0.9378
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0437	0.0786
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.022	0.0137
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1192	0.1816
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0437	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0069	0.1749	0.1564
Schistosoma mansoni	neuropeptide f receptor 76f	0.0193	0.5778	0.6007
Echinococcus multilocularis	G protein coupled receptor 139	0.0193	0.5778	0.9378
Brugia malayi	RE15519p	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Onchocerca volvulus		0.0193	0.5778	1
Brugia malayi	larval opioid receptor	0.0193	0.5778	0.6007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Loa Loa (eye worm)	neuropeptide F receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	kinesin family 1	0.0205	0.6156	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0193	0.5778	0.6007
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.2983	0.2958
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.022	0.0137
Echinococcus multilocularis	serotonin receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	biogenic amine 5HT receptor	0.0193	0.5778	0.9378
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0437	0.1466
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.022	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0106	0.2938	0.4696
Echinococcus granulosus	g protein coupled receptor	0.0193	0.5778	0.9378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0193	0.5778	0.9378
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1192	0.1163
Echinococcus granulosus	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0323	1	1
Echinococcus multilocularis	g protein coupled receptor	0.0193	0.5778	0.9378
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	neuropeptide receptor	0.0193	0.5778	0.9378
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus granulosus	sex peptide receptor	0.0193	0.5778	0.9378
Onchocerca volvulus		0.0193	0.5778	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0193	0.5778	0.6007
Schistosoma mansoni	neuropeptide receptor	0.0193	0.5778	0.6007
Echinococcus granulosus	neuropeptide receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Onchocerca volvulus		0.0193	0.5778	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Treponema pallidum	hypothetical protein	0.0323	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0193	0.5778	0.9378
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1192	0.1816
Brugia malayi	Serotonin receptor	0.0193	0.5778	0.6007
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0115	0.3244	0.2981
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.022	0.0214
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0193	0.5778	0.6007
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.022	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	neuropeptide s receptor	0.0193	0.5778	0.9378
Onchocerca volvulus		0.0193	0.5778	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Leishmania major	hypothetical protein, conserved	0.0029	0.0437	0.0786
Trypanosoma cruzi	polo-like protein kinase, putative	0.0107	0.2983	1
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0193	0.5778	0.9378
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0107	0.2983	1
Loa Loa (eye worm)	TYRA-2 protein	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Brugia malayi	Dopamine receptor protein 1	0.0193	0.5778	0.6007
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0437	0.0066
Schistosoma mansoni	glutaminase	0.031	0.9559	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.022	0.0738
Echinococcus multilocularis	g protein coupled receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0193	0.5778	0.9378
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1192	0.1816
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus granulosus	neuropeptides capa receptor	0.0193	0.5778	0.9378
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0193	0.5778	0.6007
Schistosoma mansoni	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	7TM GPCR rhodopsin	0.0193	0.5778	0.9378
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0323	1	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.1343	0.1323
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0115	0.3244	0.3238
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0106	0.2938	0.4696
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0193	0.5778	0.9378
Schistosoma mansoni	amine GPCR	0.0193	0.5778	0.6007
Echinococcus multilocularis	sex peptide receptor	0.0193	0.5778	0.9378
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0035	0.0647	0.1543
Brugia malayi	G-protein coupled receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0106	0.2938	0.3008
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0763	0.0711
Schistosoma mansoni	opsin-like receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Schistosoma mansoni	hypothetical protein	0.0039	0.0763	0.0711
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0193	0.5778	0.9378
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	dna polymerase kappa	0.0022	0.022	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0763	0.0711
Trichomonas vaginalis	glutaminase, putative	0.031	0.9559	1
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1192	0.1163
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0193	0.5778	0.6007
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0193	0.5778	0.9378
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0193	0.5778	0.9378
Schistosoma mansoni	biogenic amine receptor	0.0193	0.5778	0.6007
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0193	0.5778	0.9378
Trypanosoma cruzi	polo-like protein kinase, putative	0.0107	0.2983	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0193	0.5778	0.9378
Schistosoma mansoni	serine/threonine protein kinase	0.0107	0.2983	0.3055
Echinococcus multilocularis	neuropeptides capa receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	neuropeptide Y receptor	0.0193	0.5778	0.9378
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0193	0.5778	0.9378
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.1343	0.1323
Brugia malayi	glucose-6-phosphate dehydrogenase	0.0106	0.2938	0.3008
Mycobacterium ulcerans	glutaminase	0.031	0.9559	0.9549
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0115	0.3244	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.022	0.0738
Echinococcus multilocularis	neuropeptide Y receptor	0.0193	0.5778	0.9378
Schistosoma mansoni	amine GPCR	0.0193	0.5778	0.6007
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	neuropeptide Y receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	dna polymerase eta	0.0022	0.022	0.0214
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0193	0.5778	0.6007
Echinococcus granulosus	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0193	0.5778	0.6007
Echinococcus multilocularis	serotonin receptor	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1192	0.1816
Schistosoma mansoni	amine GPCR	0.0193	0.5778	0.6007
Echinococcus multilocularis	orexin receptor type 2	0.0193	0.5778	0.9378
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Schistosoma mansoni	hypothetical protein	0.0193	0.5778	0.6007
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0193	0.5778	0.6007
Brugia malayi	Dopamine receptor protein 2	0.0193	0.5778	0.6007
Giardia lamblia	Kinase, PLK	0.0107	0.2983	0.9138
Schistosoma mansoni	hypothetical protein	0.0193	0.5778	0.6007
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0106	0.2938	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.022	0.0137
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0437	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0193	0.5778	0.9378
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0193	0.5778	0.6007
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0027	0.0374	0.0299
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Echinococcus granulosus	tm gpcr rhodopsin	0.0193	0.5778	0.9378
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.1192	0.1163
Brugia malayi	G-protein coupled receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0193	0.5778	0.9378
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0115	0.3244	0.2981
Brugia malayi	follicle stimulating hormone receptor	0.0193	0.5778	0.6007
Echinococcus granulosus	g protein coupled receptor	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.022	0.0137
Echinococcus multilocularis	neuropeptide receptor A26	0.0193	0.5778	0.9378
Brugia malayi	ORL1-like opioid receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0193	0.5778	0.9378
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0034	0.0614	0.1424
Echinococcus granulosus	neuropeptides capa receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	somatostatin receptor	0.0193	0.5778	0.9378
Brugia malayi	GnHR receptor homolog	0.0193	0.5778	0.6007
Onchocerca volvulus		0.0193	0.5778	1
Echinococcus granulosus	hypothetical protein	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1343	0.1323
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0107	0.2983	0.4769
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	neuropeptide FF receptor 2	0.0193	0.5778	0.9378
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0193	0.5778	0.6007
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0193	0.5778	0.6007
Echinococcus multilocularis	neuropeptide s receptor	0.0193	0.5778	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0115	0.3244	0.3238
Loa Loa (eye worm)	hypothetical protein	0.0022	0.022	0.0137
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0323	1	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0107	0.2983	0.3055
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	g protein coupled receptor	0.0193	0.5778	0.9378
Echinococcus multilocularis	dna polymerase eta	0.0022	0.022	0.0214
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0193	0.5778	0.6007
Schistosoma mansoni	adenoreceptor	0.0193	0.5778	0.6007
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Onchocerca volvulus		0.0193	0.5778	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0437	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0437	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Brugia malayi	putative neuropeptide receptor NPR1	0.0193	0.5778	0.6007
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0193	0.5778	0.9378
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.3899	0.4022
Schistosoma mansoni	myosin xvIII	0.0193	0.5778	0.6007
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.2983	0.2958
Brugia malayi	MH2 domain containing protein	0.0135	0.3899	0.4022
Brugia malayi	neuropeptide F receptor	0.0193	0.5778	0.6007
Schistosoma mansoni	opsin-like receptor	0.0193	0.5778	0.6007
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.1192	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Schistosoma mansoni	neuropeptide F-like receptor	0.0193	0.5778	0.6007
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0107	0.2983	1
Brugia malayi	hypothetical protein	0.0193	0.5778	0.6007
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0037	0.07	0.049
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.022	0.0738
Loa Loa (eye worm)	G-protein coupled receptor	0.0193	0.5778	0.6007
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.123	0.1081
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0193	0.5778	0.6007
Echinococcus granulosus	serotonin receptor	0.0193	0.5778	0.9378
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0193	0.5778	0.9378
Brugia malayi	Serotonin receptor	0.0193	0.5778	0.6007
Echinococcus multilocularis	allatostatin A receptor	0.0193	0.5778	0.9378
Schistosoma mansoni	neuropeptide receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	kinesin family 1	0.0205	0.6156	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0193	0.5778	0.6007
Brugia malayi	Dopamine receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0106	0.2938	0.9839
Schistosoma mansoni	neuropeptide F-like receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Schistosoma mansoni	kinesin eg-5	0.0027	0.0374	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0193	0.5778	0.9378
Schistosoma mansoni	kinase	0.0054	0.1275	0.1251
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0193	0.5778	0.9378
Echinococcus granulosus	allatostatin A receptor	0.0193	0.5778	0.9378
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0193	0.5778	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus multilocularis	g-protein coupled receptor	0.0193	0.5778	0.9378
Schistosoma mansoni	growth hormone secretagogue receptor	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0193	0.5778	0.6007
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0193	0.5778	0.9378
Brugia malayi	neuropeptide F receptor	0.0193	0.5778	0.6007
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0115	0.3244	0.3238
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.2983	0.2958
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0069	0.1749	0.4793
Echinococcus multilocularis	dro:myosuppressin receptor	0.0193	0.5778	0.9378
Brugia malayi	Melatonin receptor type 1A	0.0193	0.5778	0.6007
Giardia lamblia	Kinesin-5	0.0027	0.0374	0.0509
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0193	0.5778	0.6007
Onchocerca volvulus		0.0193	0.5778	1
Schistosoma mansoni	hypothetical protein	0.0193	0.5778	0.6007

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 92 nM	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-oxotremorine-M from rat cerebral cortex; Value ranges from 73-120	ChEMBL.	1895293
IC50 (binding)	= 92 nM	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-oxotremorine-M from rat cerebral cortex; Value ranges from 73-120	ChEMBL.	1895293
IC50 (binding)	= 27000 nM	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 15000-45000	ChEMBL.	1895293
IC50 (binding)	= 27000 nM	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 15000-45000	ChEMBL.	1895293
Ratio (binding)	= 290	Relative binding of QNB and OXO-M to muscarininc receptors (ratio of IC50)	ChEMBL.	1895293

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 150847