TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 276.332 | Formula: C18H16N2O
H donors: 1 H acceptors: 1 LogP: 2.59 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CCc2c3n1c1ccccc1c3c1c(c2)CNCC1
InChi: 1S/C18H16N2O/c21-16-6-5-11-9-12-10-19-8-7-13(12)17-14-3-1-2-4-15(14)20(16)18(11)17/h1-4,9,19H,5-8,10H2
InChiKey: CNTRLZBJBYDJRJ-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

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
Trypanosoma cruzi	hypothetical protein, conserved	0.0048	0.0073	0.0022
Chlamydia trachomatis	sulfate transporter	0.0039	0.0051	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0042	0.0057	0.0053
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0192	0.0409	0.0409
Echinococcus granulosus	carbonic anhydrase	0.1586	0.3665	0.3662
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0039	0.0051	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0034	0.0034
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0042	0.0057	0.0053
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0278	0.0609	0.0609
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0042	0.0057	0.0057
Mycobacterium ulcerans	carbonic anhydrase	0.1819	0.4209	1
Echinococcus granulosus	glycine receptor subunit beta	0.0042	0.0057	0.0053
Echinococcus granulosus	carbonic anhydrase	0.1586	0.3665	0.3662
Echinococcus granulosus	nAChR subunit	0.0042	0.0057	0.0053
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0043	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0042	0.0057	0.0057
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0019	0.0004	0.0004
Schistosoma mansoni	nAChR subunit	0.0042	0.0057	0.0053
Onchocerca volvulus		0.0042	0.0057	0.0848
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0042	0.0057	0.0057
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0042	0.0057	0.0053
Mycobacterium ulcerans	transferase	0.0081	0.0149	0.0237
Schistosoma mansoni	nAChR subunit	0.0042	0.0057	0.0053
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1586	0.3665	0.3665
Trypanosoma brucei	hypothetical protein, conserved	0.0048	0.0073	0.0022
Brugia malayi	intermediate filament protein	0.0032	0.0035	0.0035
Brugia malayi	Cation transporter family protein	0.0042	0.0057	0.0057
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0042	0.0057	0.0053
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0042	0.0057	0.0053
Onchocerca volvulus		0.0042	0.0057	0.0848
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0042	0.0057	0.0057
Onchocerca volvulus		0.0036	0.0043	0.0626
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.025	0.0543	0.0543
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0042	0.0057	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	GABA receptor subunit	0.0022	0.0012	0.0012
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0042	0.0057	0.0053
Echinococcus multilocularis	carbonic anhydrase II	0.4298	1	1
Schistosoma mansoni	carbonic anhydrase	0.1738	0.4021	0.4018
Echinococcus multilocularis	glycine receptor subunit beta	0.0042	0.0057	0.0053
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.0004	0.0004
Onchocerca volvulus		0.0022	0.0012	0.0122
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0073	0.0053
Onchocerca volvulus		0.0245	0.0532	0.8522
Schistosoma mansoni	lamin	0.0032	0.0035	0.0031
Mycobacterium leprae	Probable transmembrane transport protein	0.0283	0.0621	0.1219
Schistosoma mansoni	nAChR subunit	0.0042	0.0057	0.0053
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0042	0.0057	0.0053
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0042	0.0057	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Echinococcus granulosus	carbonic anhydrase	0.1586	0.3665	0.3662
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0042	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0042	0.0057	0.0053
Plasmodium falciparum	carbonic anhydrase	0.1586	0.3665	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0042	0.0057	0.0053
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0042	0.0057	0.0057
Trichomonas vaginalis	conserved hypothetical protein	0.1819	0.4209	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0043	0.0039
Echinococcus multilocularis	musashi	0.0032	0.0035	0.0031
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0042	0.0057	0.0053
Loa Loa (eye worm)	carbonic anhydrase 3	0.4298	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0042	0.0057	0.0053
Onchocerca volvulus		0.0042	0.0057	0.0848
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.004	0.0036
Echinococcus granulosus	lamin dm0	0.0032	0.0035	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0042	0.0057	0.0057
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0057	0.0057
Loa Loa (eye worm)	ACC-1 protein	0.0042	0.0057	0.0057
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1586	0.3665	0.3665
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Onchocerca volvulus	Putative sulfate transporter	0.0245	0.0532	0.8522
Onchocerca volvulus		0.0022	0.0012	0.0122
Onchocerca volvulus		0.0042	0.0057	0.0848
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0042	0.0057	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1586	0.3665	0.3665
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0057	0.0057
Brugia malayi	hypothetical protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0043	0.0043
Echinococcus multilocularis	lamin	0.0032	0.0035	0.0031
Echinococcus granulosus	nAChR subunit	0.0022	0.0012	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0042	0.0057	0.0053
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0192	0.0409	0.6533
Schistosoma mansoni	neurotransmitter gated ion channel	0.0022	0.0012	0.0008
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0043	0.0039
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0043	0.0039
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0042	0.0057	0.0057
Entamoeba histolytica	bacterial transferase hexapeptide family protein	0.0048	0.0073	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Schistosoma mansoni	nAChR subunit	0.0042	0.0057	0.0053
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0042	0.0057	0.0053
Trichomonas vaginalis	conserved hypothetical protein	0.1819	0.4209	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0042	0.0057	0.0053
Schistosoma mansoni	carbonic anhydrase-related	0.1586	0.3665	0.3662
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1586	0.3665	0.3665
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0192	0.0409	0.0409
Loa Loa (eye worm)	acetylcholine receptor protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0042	0.0057	0.0053
Loa Loa (eye worm)	hypothetical protein	0.3006	0.6984	0.6984
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0043	0.0039
Schistosoma mansoni	lamin	0.0032	0.0035	0.0031
Schistosoma mansoni	nAChR subunit	0.0042	0.0057	0.0053
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0042	0.0057	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0042	0.0057	0.0057
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0022	0.0012	0.0012
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.4298	1	1
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0192	0.0409	0.0409
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.4298	1	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.4298	1	1
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0022	0.0012	0.0008
Mycobacterium ulcerans	carbonic anhydrase	0.1738	0.4021	0.9547
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0042	0.0057	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Leishmania major	carbonic anhydrase-like protein	0.4298	1	1
Onchocerca volvulus	Putative nachr subunit	0.0042	0.0057	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0042	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Onchocerca volvulus		0.0042	0.0057	0.0848
Echinococcus granulosus	dynactin 5 p25	0.0084	0.0157	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.4298	1	1
Toxoplasma gondii	hypothetical protein	0.1586	0.3665	1
Trichomonas vaginalis	set domain proteins, putative	0.0284	0.0624	0.1169
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0934	0.2142	0.7912
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.4298	1	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0042	0.0057	0.0057
Schistosoma mansoni	carbonic anhydrase	0.1586	0.3665	0.3662
Loa Loa (eye worm)	hypothetical protein	0.1586	0.3665	0.3665
Echinococcus multilocularis	carbonic anhydrase	0.1586	0.3665	0.3662
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0057	0.0057
Loa Loa (eye worm)	LGC-31 protein	0.0042	0.0057	0.0057
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0057	0.0057
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0192	0.0409	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Brugia malayi	follicle stimulating hormone receptor	0.0278	0.0609	0.0609
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0042	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0042	0.0057	0.0053
Leishmania major	carbonic anhydrase family protein, putative	0.1738	0.4021	0.3977
Brugia malayi	hypothetical protein	0.0019	0.0004	0.0004
Entamoeba histolytica	carbonic anhydrase, putative	0.1738	0.4021	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0042	0.0057	0.0057
Echinococcus multilocularis	carbonic anhydrase	0.1586	0.3665	0.3662
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Trypanosoma brucei	carbonic anhydrase-like protein	0.4298	1	1
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0042	0.0057	0.0057
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0022	0.0012	0.0012
Echinococcus granulosus	lamin	0.0032	0.0035	0.0031
Echinococcus multilocularis	lamin dm0	0.0032	0.0035	0.0031
Brugia malayi	hypothetical protein	0.0019	0.0004	0.0004
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.0004	0.0004
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0042	0.0057	0.0053
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0035	0.0035
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1586	0.3665	0.3665
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Brugia malayi	Pre-SET motif family protein	0.025	0.0543	0.0543
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0042	0.0057	0.0053
Echinococcus granulosus	glycine receptor subunit beta	0.0042	0.0057	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0043	0.0039
Plasmodium vivax	sulfate transporter, putative	0.0039	0.0051	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Schistosoma mansoni	nAChR subunit	0.0042	0.0057	0.0053
Echinococcus granulosus	intermediate filament protein	0.0032	0.0035	0.0031
Echinococcus multilocularis	nAChR subunit	0.0022	0.0012	0.0008
Schistosoma mansoni	nAChR subunit	0.0042	0.0057	0.0053
Brugia malayi	Pre-SET motif family protein	0.0036	0.0043	0.0043
Brugia malayi	Cation transporter family protein	0.0042	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Brugia malayi	hypothetical protein	0.0019	0.0004	0.0004
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.4298	1	1
Brugia malayi	Cation transporter family protein	0.0042	0.0057	0.0057
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0042	0.0057	0.0053
Brugia malayi	Protein kinase domain containing protein	0.0192	0.0409	0.0409
Entamoeba histolytica	ankyrin, putative	0.0084	0.0157	0.0361
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0192	0.0409	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Entamoeba histolytica	acetyltransferase, putative	0.0084	0.0157	0.0361
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0042	0.0057	0.0053
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0042	0.0057	0.0053
Onchocerca volvulus		0.0284	0.0624	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0042	0.0057	0.0057
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0022	0.0012	0.0008
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.1738	0.4021	1
Wolbachia endosymbiont of Brugia malayi	2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase	0.0084	0.0157	1
Schistosoma mansoni	hypothetical protein	0.1586	0.3665	0.3662
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0283	0.0621	0.2097
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.0084	0.0157	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0019	0.0004	0.0004
Echinococcus multilocularis	carbonic anhydrase	0.1586	0.3665	0.3662
Schistosoma mansoni	carbonic anhydrase-related	0.1586	0.3665	0.3662
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0042	0.0057	0.0053
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1168	0.2688	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0012	0.0012
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.0012	0.0012
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1586	0.3665	0.3665
Mycobacterium tuberculosis	Probable serine acetyltransferase CysE (sat)	0.0084	0.0157	0.0322
Brugia malayi	excitatory GABA receptor EXP-1A	0.0042	0.0057	0.0057
Echinococcus granulosus	carbonic anhydrase II	0.4298	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0192	0.0409	0.0405
Loa Loa (eye worm)	ACC-1 protein	0.0042	0.0057	0.0057
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0043	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Schistosoma mansoni	carbonic anhydrase-related	0.1586	0.3665	0.3662
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0042	0.0057	0.0057
Trypanosoma cruzi	hypothetical protein, conserved	0.0048	0.0073	0.0022
Onchocerca volvulus		0.0032	0.0035	0.0495
Onchocerca volvulus		0.0032	0.0035	0.0495
Echinococcus multilocularis	nAChR subunit	0.0042	0.0057	0.0053
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.1087	0.25	0.928
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0004	0.0004
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0035	0.0031
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0057	0.0057
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.0057	0.0057
Onchocerca volvulus		0.0081	0.0149	0.2337
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0057
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0019	0.0004	0.0004
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.0004	0.0004
Brugia malayi	hypothetical protein	0.0019	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.1586	0.3665	0.3665
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0042	0.0057	0.0053
Onchocerca volvulus		0.0042	0.0057	0.0848

Activities

Activity type	Activity value	Assay description	Source	Reference
Cooperativity (binding)	= 0.8	Subtype selectivity and the cooperativity with N-methyl scopolamine (NMS) at muscarinic acetylcholine receptor M3; Activity range is 0.2-0.8	ChEMBL.	11881995
Cooperativity (binding)	= 3	Subtype selectivity and cooperativity with N-methyl scopolamine (NMS) at Muscarinic acetylcholine receptor M4; Activity range is 1.2-3	ChEMBL.	11881995
Cooperativity (binding)	= 3	Subtype selectivity and the cooperativity with N-methyl scopolamine (NMS) at Muscarinic acetylcholine receptor M2; Activity range is 1.2-3	ChEMBL.	11881995
Cooperativity (binding)	= 3	Subtype selectivity and the cooperativity with N-methyl scopolamine (NMS) at Muscarinic acetylcholine receptor M1; Activity range is 1.2-3	ChEMBL.	11881995
Cooperativity (binding)	= 0.8	Subtype selectivity and the cooperativity with N-methyl scopolamine (NMS) at muscarinic acetylcholine receptor M3; Activity range is 0.2-0.8	ChEMBL.	11881995
Cooperativity (binding)	= 3	Subtype selectivity and the cooperativity with N-methyl scopolamine (NMS) at Muscarinic acetylcholine receptor M1; Activity range is 1.2-3	ChEMBL.	11881995
Cooperativity (binding)	= 3	Subtype selectivity and the cooperativity with N-methyl scopolamine (NMS) at Muscarinic acetylcholine receptor M2; Activity range is 1.2-3	ChEMBL.	11881995
Cooperativity (binding)	= 3	Subtype selectivity and cooperativity with N-methyl scopolamine (NMS) at Muscarinic acetylcholine receptor M4; Activity range is 1.2-3	ChEMBL.	11881995
Log 1/M (binding)	= 4.64	Logarithm of affinity (log 1/M) at the (N-methyl scopolamine) NMS-liganded muscarinic acetylcholine receptor M3 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 4.88	Logarithm of affinity (log 1/M) at the muscarinic acetylcholine receptor M3 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 4.99	Logarithm of affinity (log 1/M) at the muscarinic acetylcholine receptor M4 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.31	Logarithm of affinity (log 1/M) at the muscarinic acetylcholine receptor M2 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.37	Logarithm of affinity (log 1/M) at the (N-methyl scopolamine) NMS-liganded muscarinic acetylcholine receptor M4 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.49	Logarithm of affinity (log 1/M) at the free muscarinic acetylcholine receptor M1 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.49	Logarithm of affinity (log 1/M) at the (N-methyl scopolamine) NMS-liganded muscarinic acetylcholine receptor M1 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.49	Logarithm of affinity (log 1/M) at the (N-methyl scopolamine) NMS-liganded muscarinic acetylcholine receptor M2 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 4.64	Logarithm of affinity (log 1/M) at the (N-methyl scopolamine) NMS-liganded muscarinic acetylcholine receptor M3 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 4.88	Logarithm of affinity (log 1/M) at the muscarinic acetylcholine receptor M3 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 4.99	Logarithm of affinity (log 1/M) at the muscarinic acetylcholine receptor M4 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.31	Logarithm of affinity (log 1/M) at the muscarinic acetylcholine receptor M2 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.37	Logarithm of affinity (log 1/M) at the (N-methyl scopolamine) NMS-liganded muscarinic acetylcholine receptor M4 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.49	Logarithm of affinity (log 1/M) at the free muscarinic acetylcholine receptor M1 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.49	Logarithm of affinity (log 1/M) at the (N-methyl scopolamine) NMS-liganded muscarinic acetylcholine receptor M1 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995
Log 1/M (binding)	= 5.49	Logarithm of affinity (log 1/M) at the (N-methyl scopolamine) NMS-liganded muscarinic acetylcholine receptor M2 by using semiquantitative equilibrium and off-rate assay	ChEMBL.	11881995

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: CHEMBL283792
PubChem: 10446155

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 28459