TDR Targets

Basic information

Technical information

TDR Targets ID: 173875
Name: 1-azabicyclo[2.2.2]octan-8-yl 2-hydroxy-2-phe nyl-3-thiomorpholin-4-ylpropanoate
MW: 376.513 | Formula: C20H28N2O3S
H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(c1ccccc1)(CN1CCSCC1)O)OC1CN2CCC1CC2
InChi: 1S/C20H28N2O3S/c23-19(25-18-14-21-8-6-16(18)7-9-21)20(24,17-4-2-1-3-5-17)15-22-10-12-26-13-11-22/h1-5,16,18,24H,6-15H2
InChiKey: WXWSHPPBDGXZGO-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

quinuclidin-3-yl 2-hydroxy-2-phenyl-3-thiomorpholino-propanoate
2-hydroxy-2-phenyl-3-thiomorpholinopropanoic acid 3-quinuclidinyl ester
1-azabicyclo[2.2.2]octan-8-yl 2-hydroxy-2-phenyl-3-thiomorpholin-4-yl-propanoate
2-hydroxy-2-phenyl-3-thiomorpholino-propionic acid quinuclidin-3-yl ester

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
Brugia malayi	hypothetical protein	0.0187	0.2344	0.4067
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.0637	0.0637
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0167	0.2035	0.2035
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0187	0.2344	0.4067
Echinococcus multilocularis	FTZ F1 alpha	0.0353	0.4918	0.4918
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.038	0.066
Loa Loa (eye worm)	DR-78	0.0167	0.2035	0.3532
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4918	0.8534
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0353	0.4918	0.8534
Echinococcus granulosus	thyroid hormone receptor alpha	0.0167	0.2035	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4918	0.8534
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0637	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0224	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4918	0.8534
Schistosoma mansoni	nuclear hormone receptor	0.0167	0.2035	0.2035
Schistosoma mansoni	coup transcription factor	0.0353	0.4918	0.4918
Loa Loa (eye worm)	hypothetical protein	0.0187	0.2344	0.4067
Onchocerca volvulus	Protein ultraspiracle homolog	0.0353	0.4918	0.7264
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4918	0.8534
Loa Loa (eye worm)	steroid hormone receptor	0.0353	0.4918	0.8534
Brugia malayi	ecdysteroid receptor	0.0353	0.4918	0.8534
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0637	0.5
Brugia malayi	nuclear hormone receptor	0.0167	0.2035	0.3532
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0011	0.0011
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0167	0.2035	0.2035
Brugia malayi	nuclear receptor NHR-88	0.0353	0.4918	0.8534
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0353	0.4918	0.4918
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0011	0.0011
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0167	0.2035	0.2035
Brugia malayi	Pre-SET motif family protein	0.0408	0.5762	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.0919	0.0919
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0187	0.2344	0.2344
Brugia malayi	hypothetical protein	0.0167	0.2035	0.3532
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Brugia malayi	ecdysone receptor	0.0167	0.2035	0.3532
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0187	0.2344	0.2344
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0353	0.4918	0.4918
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0167	0.2035	0.3532
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Entamoeba histolytica	hypothetical protein	0.0036	0.0011	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0059	0.0365	0.0365
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0353	0.4918	0.4918
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0353	0.4918	0.4918
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.0637	0.0637
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0167	0.2035	0.2035
Brugia malayi	hypothetical protein	0.0187	0.2344	0.4067
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0353	0.4918	0.8534
Schistosoma mansoni	hypothetical protein	0.01	0.1005	0.1005
Brugia malayi	Nuclear hormone receptor-like 1	0.0187	0.2344	0.4067
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0167	0.2035	0.3532
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Echinococcus granulosus	ecdysone induced protein 78C	0.0353	0.4918	0.4918
Brugia malayi	photoreceptor-specific nuclear receptor	0.0353	0.4918	0.8534
Brugia malayi	Nuclear hormone receptor E75	0.0167	0.2035	0.3532
Brugia malayi	Nuclear hormone receptor-like 1	0.0187	0.2344	0.4067
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0353	0.4918	0.8534
Schistosoma mansoni	nuclear receptor	0.0167	0.2035	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0059	0.0365	0.0365
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0353	0.4918	0.4918
Onchocerca volvulus		0.0353	0.4918	0.7264
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0167	0.2035	0.2665
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0353	0.4918	0.8534
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0365	0.0633
Schistosoma mansoni	hypothetical protein	0.0046	0.0176	0.0176
Brugia malayi	Nuclear hormone receptor E75	0.0167	0.2035	0.3532
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0353	0.4918	0.4918
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Brugia malayi	nuclear receptor RXR	0.0167	0.2035	0.3532
Schistosoma mansoni	thyroid hormone receptor	0.0353	0.4918	0.4918
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4918	0.8534
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0232	0.5
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0232	0.0232
Brugia malayi	latrophilin 2 splice variant baaae	0.01	0.1005	0.1744
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0146	0.172	0.2985
Onchocerca volvulus		0.0464	0.6633	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.0919	0.0919
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0353	0.4918	0.8534
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0353	0.4918	0.4918
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4918	0.8534
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0637	0.1105
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0353	0.4918	0.8534
Brugia malayi	conserved hypotetical protein	0.0167	0.2035	0.3532
Schistosoma mansoni	nuclear hormone receptor	0.0353	0.4918	0.4918
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0353	0.4918	0.8534
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0365	0.0365
Brugia malayi	Nuclear hormone receptor-like 1	0.0353	0.4918	0.8534
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0167	0.2035	0.2035
Brugia malayi	nuclear hormone receptor	0.0353	0.4918	0.8534
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0353	0.4918	0.8534
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0637	0.5
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0167	0.2035	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4918	0.8534
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0176	0.0305
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0146	0.172	0.2985
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0353	0.4918	0.4918
Echinococcus multilocularis	ecdysone induced protein 78C	0.0353	0.4918	0.4918
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0637	0.5
Schistosoma mansoni	hypothetical protein	0.0046	0.0176	0.0176
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0353	0.4918	0.8534
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0353	0.4918	0.4918
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0081	0.0081
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0046	0.0176	0.0305
Entamoeba histolytica	hypothetical protein	0.0036	0.0011	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0353	0.4918	0.4918
Entamoeba histolytica	hypothetical protein	0.0036	0.0011	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.0637	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0167	0.2035	0.3532
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0353	0.4918	0.4918
Schistosoma mansoni	retinoic acid receptor RXR	0.0353	0.4918	0.4918
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0353	0.4918	0.4918
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0046	0.0176	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Echinococcus multilocularis	GPCR, family 2	0.0046	0.0176	0.0176
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0056	0.0332	0.0332
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0353	0.4918	0.4918
Loa Loa (eye worm)	hypothetical protein	0.0146	0.172	0.2985
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0637	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0353	0.4918	0.4918
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0187	0.2344	0.2344
Brugia malayi	nuclear receptor NHR-67	0.0167	0.2035	0.3532
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Loa Loa (eye worm)	hypothetical protein	0.0187	0.2344	0.4067
Schistosoma mansoni	hypothetical protein	0.0046	0.0176	0.0176
Echinococcus multilocularis	microtubule associated protein 2	0.0682	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0353	0.4918	0.8534
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.0637	0.0637
Echinococcus granulosus	histone lysine methyltransferase setb	0.0059	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Brugia malayi	nuclear hormone receptor family member odr-7	0.0167	0.2035	0.3532
Brugia malayi	hypothetical protein	0.0036	0.0011	0.0018
Echinococcus multilocularis	nuclear receptor nhr 48	0.0167	0.2035	0.2035
Schistosoma mansoni	nuclear receptor	0.0167	0.2035	0.2035
Schistosoma mansoni	hypothetical protein	0.0036	0.0011	0.0011
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0353	0.4918	0.4918
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0637	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0682	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0167	0.2035	0.2035
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0167	0.2035	0.2665
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0167	0.2035	0.3532
Schistosoma mansoni	hypothetical protein	0.0046	0.0176	0.0176
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0353	0.4918	0.8534
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0167	0.2035	0.2035
Trichomonas vaginalis	set domain proteins, putative	0.0464	0.6633	0.5
Echinococcus granulosus	nuclear receptor nhr 48	0.0167	0.2035	0.2035
Schistosoma mansoni	zinc finger protein	0.0167	0.2035	0.2035
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0187	0.2344	0.2344
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0353	0.4918	0.8534
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0637	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0046	0.0176	0.0176
Brugia malayi	orphan nuclear receptor NR2E1	0.0167	0.2035	0.3532
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0353	0.4918	0.4918
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0353	0.4918	0.4918
Loa Loa (eye worm)	hypothetical protein	0.0187	0.2344	0.4067
Schistosoma mansoni	thyroid hormone receptor	0.0353	0.4918	0.4918
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4918	0.8534
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Brugia malayi	nuclear receptor NHR-88	0.0167	0.2035	0.3532
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0353	0.4918	0.8534
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0046	0.0176	0.0176
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0167	0.2035	0.2035
Brugia malayi	Latrophilin receptor protein 2	0.0046	0.0176	0.0305
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0637	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.0167	0.2035	0.3532
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0046	0.0176	0.0176
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.062	0.062
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0408	0.5762	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Schistosoma mansoni	nuclear receptor nhr-48	0.0167	0.2035	0.2035
Echinococcus granulosus	FTZ F1 alpha	0.0353	0.4918	0.4918
Brugia malayi	nuclear receptor RXR	0.0187	0.2344	0.4067
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0353	0.4918	0.7264
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0353	0.4918	0.4918
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0353	0.4918	0.8534
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0353	0.4918	0.8534
Brugia malayi	Probable ClpP-like protease	0.0076	0.0637	0.1105
Loa Loa (eye worm)	hypothetical protein	0.0187	0.2344	0.4067
Brugia malayi	hypothetical protein	0.0167	0.2035	0.3532
Loa Loa (eye worm)	hypothetical protein	0.01	0.1005	0.1744
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0059	0.0365	0.0365
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0046	0.0176	0.0176
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0353	0.4918	0.4918
Brugia malayi	jmjC domain containing protein	0.0094	0.0919	0.1595
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0167	0.2035	0.2035
Brugia malayi	Pre-SET motif family protein	0.0059	0.0365	0.0633
Echinococcus granulosus	GPCR family 2	0.0046	0.0176	0.0176
Brugia malayi	Steroid receptor seven-up type 2	0.0353	0.4918	0.8534
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0365	0.0365
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0637	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0353	0.4918	0.8534
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0353	0.4918	0.8534
Brugia malayi	tailless protein	0.0167	0.2035	0.3532
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0146	0.172	0.2985
Onchocerca volvulus		0.0167	0.2035	0.2665
Loa Loa (eye worm)	hypothetical protein	0.0187	0.2344	0.4067
Onchocerca volvulus	Bile acid receptor homolog	0.0353	0.4918	0.7264
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0167	0.2035	0.2035
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0353	0.4918	0.4918
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0353	0.4918	0.8534
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.0637	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0232	0.0232
Schistosoma mansoni	nuclear hormone receptor	0.0167	0.2035	0.2035
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0353	0.4918	0.8534
Loa Loa (eye worm)	hypothetical protein	0.0167	0.2035	0.3532
Brugia malayi	steroid hormone receptor	0.0353	0.4918	0.8534
Onchocerca volvulus		0.0167	0.2035	0.2665
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0353	0.4918	0.4918
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0232	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0011	0.0011
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0353	0.4918	0.4918
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0353	0.4918	0.8534
Entamoeba histolytica	hypothetical protein	0.0036	0.0011	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Kb (functional)	= 7.5 nM	Inhibition of carbachol-induced contraction of guinea pig ileum longitudinal muscle was determined	ChEMBL.	2296026
Kb (binding)	= 7.5 nM	In vitro studies for binding affinity profile against Muscarinic acetylcholine receptor M2 beta subtype in guinea pig ileal muscle.	ChEMBL.	2296026
Kb (binding)	= 10 nM	In vitro studies for binding affinity profile against Muscarinic acetylcholine receptor M1 subtype in rabbit vas deferens.	ChEMBL.	2296026
Kb (binding)	= 439 nM	In vitro studies for binding affinity profile against Muscarinic acetylcholine receptor M2 alpha subtype in guinea pig atrial muscle.	ChEMBL.	2296026
Ki (binding)	= 158 nM	Displacement of [3H]-QNB from rat ileum Muscarinic acetylcholine receptor	ChEMBL.	2296026
Selectivity (binding)	= 0.02	Selectivity ratio was determined as ratio of M1/M2 alpha	ChEMBL.	2296026
Selectivity (binding)	= 0.02	Selectivity ratio was determined as ratio of M2beta/M2 alpha	ChEMBL.	2296026
Selectivity (binding)	= 1	Selectivity ratio was determined as ratio of M1/M2-beta	ChEMBL.	2296026

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

PubChem: 15631296

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 173875