Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T09130 | Target Info | |||
| Target Name | Muscarinic acetylcholine receptor (CHRM) | ||||
| Target Type | Successful Target | ||||
| Gene Name | NO-GeName | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 8 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Pyridostigmine
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|
Approved | Compound Info | ||
| Synonyms |
Pyridostigminum; Pyridostigmine Bromine; Mestinon (TN); Mestinon-SR; Regonol (TN); AQ-776/42801589; Pyridinium, 3-hydroxy-1-methyl-, dimethylcarbamate (ester); Pyridinium, 3-(((dimethylamino)carbonyl)oxy)-1-methyl-(9CI); (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate; 1-methyl-3-pyridiniumyl dimethylcarbamate; 3-(((Dimethylamino)carbonyl)oxy)-1-methylpyridinium
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|
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
3-[(E)-But-2-enoxy]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL6375
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|
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
4,5,6,7-Tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-one;hydrobromide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL6373
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
5-Benzyl-3-methoxy-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL7482
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|
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
3-Butoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL6860; SCHEMBL10651499
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
3-(3-Furyl)quinuclidin-3-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL144737; 1-Azabicyclo[2.2.2]octan-3-ol,3-(3-furanyl)-; SCHEMBL7398071; BDBM50036187; 3-(furan-3-yl)-1-azabicyclo[2.2.2]octan-3-ol; 3-Furan-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol; (+/-) 3-(Fur-3-yl)-3-hydroxy-1-azabicyclo[2.2.2]octane
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|
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| Activity |
Ki ~ 58000 nM
|
[3] | |||
| Compound Name |
2,2-Diphenylpropionic acid (3-hydroxy-2-pyridyl)methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL172729
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|
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| Activity |
Ki = 75000.1 nM
|
[1] | |||
| Compound Name |
[2-(Hydroxymethyl)-1-methylpyridin-1-ium-3-yl] N,N-dimethylcarbamate;iodide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL173710
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|
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 24 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Acetic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL64000; Acetic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester; BDBM50064609
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|
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| Activity |
EC50 = 1.62E+17 nM
|
[4] | |||
| Compound Name |
6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193968; (+/-)-exo-6-Hydroxytropinone; EINECS 227-677-7; NSC102773; Prestwick0_000967; Prestwick1_000967; Prestwick2_000967; 7-Hydroxy-8-methylazabicyclo(3.2.1)octan-3-one; SPBio_002894; SCHEMBL2351669; DTXSID50974747; HMS1571A15; ACT03097; (+/-)-exo-6-Hydroxy-3-tropanone; BDBM50475455; AKOS015896347; CCG-208475; MCULE-8931380694; NSC-102773; VZ30778; NCGC00163569-01; FT-0601346; SR-05000002226; SR-05000002226-2; 7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one; 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one #; 8-Azabicyclo[3.2.1]octan-3-one, 6-hydroxy-8-methyl-, exo-; (+/-)-exo-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
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|
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| Activity |
EC50 = 2.45E+12 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-3-phenylprop-2-enoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196931; BDBM50475456
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|
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| Activity |
EC50 = 8.51E+12 nM
|
[4] | |||
| Compound Name |
Acetylpseudotropine
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|
Investigative | Compound Info | ||
| Synonyms |
Tropine acetate; CHEMBL193341; 3-Acetoxytropane; 8-methyl-8-azabicyclo[3.2.1]octan-3-yl acetate; 8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-acetate(ester),exo-; 3,6-acetoxytropane; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate; SCHEMBL7304637; 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, acetate (ester), endo-; DTXSID70955775; 8-Azabicyclo(3.2.1)octan-3-ol, 8-methylacetate (ester), exo-; BDBM50475460; AKOS034258021; MCULE-8946246539; C12452; C12453; 8-Methyl-8-azabicyclo[3.2.1]octane-3-ol acetate; Q27114187; Z380844396
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|
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| Activity |
EC50 = 1.26E+13 nM
|
[4] | |||
| Compound Name |
(8-Methyl-6-propanoyloxy-8-azabicyclo[3.2.1]octan-3-yl) propanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL195939; BDBM50475451
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|
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| Activity |
EC50 = 2.34E+13 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methoxybenzoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196238; BDBM50475445
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|
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| Activity |
EC50 = 3.31E+13 nM
|
[4] | |||
| Compound Name |
6-Acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL294273; BDBM50064612; Acetic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-6-yl ester
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|
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| Activity |
EC50 = 4.07E+13 nM
|
[4] | |||
| Compound Name |
6-Acetoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
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|
Investigative | Compound Info | ||
| Synonyms |
NSC666444; CHEMBL62560; (8-methyl-3-oxo-8-azabicyclo[3.2.1]octan-6-yl) acetate; 8-Methyl-3-oxo-8-azabicyclo[3.2.1]oct-6-yl acetate; CTK7H3087; BDBM50475441; NSC-666444; NCI60_023109; FT-0695678
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|
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| Activity |
EC50 = 6.76E+13 nM
|
[4] | |||
| Compound Name |
(3-Chloro-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL194144; BDBM50475461
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|
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| Activity |
EC50 = 8.71E+13 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL425911; BDBM50475452
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|
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| Activity |
EC50 = 2.00E+14 nM
|
[4] | |||
| Compound Name |
8-Azabicyclo[3.2.1]octane-3,6-diol, diacetate (ester)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193642; CTK6A2064; BDBM50475447; 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol diacetate; 8-methyl-8-azabicyclo[3.2.1]octane-3,6-diyl diacetate; 3-(Acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-yl acetate #
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|
||||
| Activity |
EC50 = 2.24E+14 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylbenzoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193698; BDBM50475440
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|
||||
| Activity |
EC50 = 2.29E+14 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-azabicyclo[3.2.1]octan-3-yl) (Z)-3-phenylprop-2-enoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196219; BDBM50475444
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|
||||
| Activity |
EC50 = 5.01E+14 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) decanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL194847; BDBM50475442
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|
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| Activity |
EC50 = 3.80E+15 nM
|
[4] | |||
| Compound Name |
[8-Methyl-3-(4-methylphenyl)sulfonyloxy-8-azabicyclo[3.2.1]octan-6-yl] acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL373341; BDBM50475457
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|
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| Activity |
EC50 = 9.55E+15 nM
|
[4] | |||
| Compound Name |
[3-(4-Methoxyphenyl)sulfonyloxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196151; BDBM50475446
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|
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| Activity |
EC50 = 1.07E+16 nM
|
[4] | |||
| Compound Name |
[8-Methyl-3-(3-methylphenyl)sulfonyloxy-8-azabicyclo[3.2.1]octan-6-yl] acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL194196; BDBM50475450
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|
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| Activity |
EC50 = 1.12E+16 nM
|
[4] | |||
| Compound Name |
Baogongteng a
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL197092; 2-hydroxy-8-azabicyclo[3.2.1]octan-6-yl acetate; BDBM50475449; 8-Azabicyclo[3.2.1]octane-2,6-diol 6-acetate; (2-Hydroxy-8-azabicyclo[3.2.1]octan-6-yl) acetate
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|
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| Activity |
EC50 = 1.26E+16 nM
|
[4] | |||
| Compound Name |
[3-(Benzenesulfonyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL372536; BDBM50475453
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|
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| Activity |
EC50 = 2.00E+16 nM
|
[4] | |||
| Compound Name |
[8-Methyl-3-(4-nitrophenyl)sulfonyloxy-8-azabicyclo[3.2.1]octan-6-yl] acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL194793; BDBM50475458
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|
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| Activity |
EC50 = 2.24E+16 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) heptanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL364454; BDBM50475443
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|
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| Activity |
EC50 = 3.72E+16 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) hexanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL194008; BDBM50475459
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|
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| Activity |
EC50 = 1.55E+17 nM
|
[4] | |||
| Compound Name |
(6-Hexanoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) hexanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196218; BDBM50475454
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|
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| Activity |
EC50 = 2.09E+17 nM
|
[4] | |||
| Compound Name |
(6-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) octanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL195011; BDBM50475448
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|
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| Activity |
EC50 = 5.75E+17 nM
|
[4] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Pyridophens: binary pyridostigmine-aprophen prodrugs with differential inhibition of acetylcholinesterase, butyrylcholinesterase, and muscarinic receptors. J Med Chem. 2002 Feb 14;45(4):902-10. | ||||
| REF 2 | A novel class of conformationally restricted heterocyclic muscarinic agonists. J Med Chem. 1986 Jun;29(6):1004-9. | ||||
| REF 3 | 3-Heteroaryl-substituted quinuclidin-3-ol and quinuclidin-2-ene derivatives as muscarinic antagonists. Synthesis and structure-activity relationships. J Med Chem. 1995 Feb 3;38(3):473-87. | ||||
| REF 4 | Activity and QSAR study of baogongteng A and its derivatives as muscarinic agonists. Bioorg Med Chem Lett. 2005 Nov 1;15(21):4814-8. | ||||
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