Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T63967 | Target Info | |||
| Target Name | Neuronal acetylcholine receptor alpha-4/beta-2 (CHRNA4/B2) | ||||
| Synonyms |
CHRN; nAChR
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| Target Type | Successful Target | ||||
| Gene Name | CHRNA4-CHRNB2 | ||||
| Biochemical Class | Neurotransmitter receptor | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 93 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Tropisetron
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Approved | Compound Info | ||
| Synonyms |
Navoban; Novaban; TKT; ICS-205930; Navoban (TN); Tropisetron (INN); [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate; (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate
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| Activity |
Ki = 55000 nM
|
[1] | |||
| Compound Name |
Ondansetron
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Approved | Compound Info | ||
| Synonyms |
DESMETHYLONDANSETRON; Zofran; Zophren; Zudan; Sandoz ondansetron; ZOFRAN IN PLASTIC CONTAINER; Zofran ODT; GR 38032; GR 38032X; GR38032F; Apo-ondansetron; GR-38032F; Novo-ondansetron; Ondansetron (Zofran); PHL-ondansetron; PMS-ondansetron; Ratio-ondansetron; SN-307; Zofran (TN); Zofran ODT (TN); Ondansetron [USAN:INN:BAN]; Ondansetron (JAN/USP/INN); Ondansetron, (+,-)-Isomer; (RS)-1,2,3,9-Tetrahydro-9-methyl-3-(2-methylimidazol-1-ylmethyl)carbazol-4-one; 1,2,3,9-Tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-4H-carbazol-4-one; 9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one; 9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one; 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
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| Activity |
IC50 = 66000 nM
|
[2] | |||
| Compound Name |
Acetylcholine
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Approved | Compound Info | ||
| Synonyms |
acetylcholine; Choline acetate; O-Acetylcholine; Acetyl choline ion; Acetylcholinum; 51-84-3; (2-Acetoxyethyl)trimethylammonium; Acetyl choline cation; Choline acetate (ester); 2-(Acetyloxy)-N,N,N-trimethylethanaminium; Ach; Azetylcholin; ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-; UNII-N9YNS0M02X; BRN 1764436; CHEBI:15355; Bromoacetylcholine; EINECS 200-128-9; CHEMBL667; N9YNS0M02X; [2-(acetyloxy)ethyl]trimethylazanium; Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI); 2-acetyloxyethyl-trimethylazanium; [3H]acetylcholine; Miochol; Miochol-e
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| Activity |
EC50 = 70000 nM
|
[3] | |||
| Compound Name |
3-bromoboldine
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Investigative | Compound Info | ||
| Synonyms |
3-bromoboldine; CHEMBL225853; BDBM50202340
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| Activity |
IC50 = 99000 nM
|
[4] | |||
| Compound Name |
A-582941
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Investigative | Compound Info | ||
| Synonyms |
A582941; A 582941
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
3,8-dibromoboldine
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Investigative | Compound Info | ||
| Synonyms |
3,8-dibromoboldine; CHEMBL388564
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| Activity |
IC50 = 101000 nM
|
[4] | |||
| Compound Name |
Varenicline
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Investigative | Compound Info | ||
| Synonyms |
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-; CP-526555; 6,7,8,9-tetrahydro-6,10-methano-6H-pyrazino(2,3-h)benzazepine; CHEMBL556954; 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene; 7,8,9,10-tetrahydro-6h-6,10-methanoazepino[4,5-g]quinoxaline; NCGC00247735-01; NCGC00247735-02; Varenicline (INN); CP-526,555; CHEMBL1396; SCHEMBL225687; CP 526555; Champix; Chantix; BCP01413; BDBM50166908; 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine,7,8,9,10-tetrahydro-; AKOS005145561; CS-0396; DB01273; MCULE-3341459784; SB17430; NCGC00247735-03; HY-10019; DB-015064; D08669; AB01568242_01; J-501695; Q56433825; 7,8,9,10-tetrahydro- 6,10-methano- 6H-pyrazino (2,3-h)(3) benzazepine; 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino-[2,3-h][3]benzazepine; 2-AMINO-4-(TRIFLUOROMETHYL)THIOPHENOL3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE; 5,8,14-Triazatetracyclo[10.3.1.02, 11.04,9]hexadeca-2(11),3,5,7,9-pentaene; 5,8,14-Triazatetracyclo[10.3.1.02,11,04,9]hexadeca-2(11),3,5,7,9-pentaene; 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]-hexadeca-2(11),3,5,7,9-pentaene; 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]-hexadeca-2(11),3,5,7,9pentaene; 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene; 6,10-Methano-7,8,9,10-tetrahydro-1,4,8-triaza-6H-cyclohepta[b]naphthalene; 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine(Varenicline)
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| Activity |
IC50 = 50000 nM
|
[6] | |||
| Compound Name |
1-Ethyl-4-phenylthiomorpholin-1-ium;trifluoromethanesulfonate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4061049; BDBM50241432
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| Activity |
IC50 = 51000 nM
|
[7] | |||
| Compound Name |
2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenoxyphenyl)methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179521; BDBM50397908
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| Activity |
EC50 = 51000 nM
|
[8] | |||
| Compound Name |
N-[6-(Butylamino)pyridin-2-yl]-4-propoxybenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407135; BDBM50437533
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| Activity |
IC50 = 54100 nM
|
[9] | |||
| Compound Name |
Phantasmidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1086654; SCHEMBL12335760; BDBM50465457; Q15425276
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| Activity |
EC50 = 56000 nM
|
[10] | |||
| Compound Name |
Polygodial
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Investigative | Compound Info | ||
| Synonyms |
Tadeonal; Poligodial; (-)-Polygodial; Tadeodal; Drim-7-ene-11,12-dial; UNII-5FAF7T66M7; 5FAF7T66M7; CHEMBL254550; NSC372407; (-)-Tadeonal; Polygodial, (+/-)-; CCRIS 1712; 1,4,4a,5,6,7,8,8a-Octahydro-5,5,8a-trimethyl-1,2-naphthalenedicarboxaldehyde; QUIRAL TADEODAL; Polygodial (Tadeonal); SCHEMBL258239; CTK5C6296; GTPL10293; ZINC4098293; BDBM50318479; AKOS024457471; NSC-372407; NCI60_003460; B7311; C09712; Q3395581; UNII-A00RAV0W57 component AZJUJOFIHHNCSV-KCQAQPDRSA-N
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| Activity |
IC50 = 62500 nM
|
[11] | |||
| Compound Name |
N-(6-Bromopyridin-2-yl)-4-prop-2-enoxybenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407125; BDBM50437516
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| Activity |
IC50 = 70100 nM
|
[9] | |||
| Compound Name |
2-(6-Bromo-2-propyl-1H-indol-3-yl)-N-methylethanamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835615; BDBM50419275
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| Activity |
EC50 = 72443.6 nM
|
[12] | |||
| Compound Name |
5-[[(2S)-1-Methylpyrrolidin-2-yl]methoxy]pyridin-3-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3603933; BDBM50114000
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| Activity |
EC50 = 73000 nM
|
[13] | |||
| Compound Name |
(3-Chlorofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179545; SCHEMBL585638; BDBM50397931
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| Activity |
EC50 = 76000 nM
|
[8] | |||
| Compound Name |
N-(6-Bromopyridin-2-yl)-4-propoxybenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407130; BDBM50437511
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| Activity |
IC50 = 80700 nM
|
[9] | |||
| Compound Name |
N-(1H-Pyrazol-5-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1940800; BDBM50419612
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| Activity |
IC50 = 83000 nM
|
[14] | |||
| Compound Name |
3-(Dimethylamino)butyl 3-methylazetidine-1-carboxylate;oxalic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1202079
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| Activity |
EC50 = 85000 nM
|
[3] | |||
| Compound Name |
4-Chlorobenzoic acid [(2S)-1-methylpyrrolidine-2-yl]methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2381563; BDBM50433569
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| Activity |
IC50 = 95000 nM
|
[15] | |||
| Compound Name |
(2E)-1-[(4-Azidopyridin-3-yl)methyl]-N-nitro-1,3-dihydro-2H-imidazol-2-imine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL327625; BDBM50114756
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| Activity |
Ki = 95800 nM
|
[16] | |||
| Compound Name |
(1R,4R)-2-[5-Hydroxy-3-pyridinyl]-2,5-diazabicyclo[2.2.1]-heptane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL436827; BDBM50216316; (1S,4S)-2-[5-hydroxy-3-pyridinyl]-2,5-diazabicyclo[2.2.1]-heptane
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| Activity |
EC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
2-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1940787; BDBM50419617
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| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
(3R)-N-(6-Methylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4075880; BDBM50232603
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| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
N-(6-Chloropyridin-2-yl)-4-propoxybenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407131; BDBM50437510
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| Activity |
IC50 ~ 100000 nM
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[9] | |||
| Compound Name |
Dianicline
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Investigative | Compound Info | ||
| Synonyms |
SSR591813; UNII-Y0SNM34C6O; Y0SNM34C6O; CHEMBL187927; Dianicline [INN]; SCHEMBL2354672; SSR591813L; ZINC3966685; BDBM50170601; PDSP1_001294; PDSP2_001278; DB12125; SSR-591813; Q5271647
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| Activity |
EC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
2-(6-Chloropyridin-3-yl)-2,7-diazaspiro[4.4]nonane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL504126; SCHEMBL1556835; CTK2A4891; DTXSID60624448; BDBM50257942; 2,7-Diazaspiro[4.4]nonane, 2-(6-chloro-3-pyridinyl)-
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| Activity |
EC50 ~ 100000 nM
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[20] | |||
| Compound Name |
N-[6-(3-Fluoroanilino)pyridin-2-yl]-4-propoxybenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407140; BDBM50437528
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| Activity |
IC50 ~ 100000 nM
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[9] | |||
| Compound Name |
2-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)xanthen-9-one
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Investigative | Compound Info | ||
| Synonyms |
A 844606; CHEMBL1950171; A-844606; SCHEMBL1791588; BDBM50364857; AKOS024458180; NCGC00371020-01; CID 11461365; 2-(Hexahydro-5-methylpyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one
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| Activity |
EC50 ~ 100000 nM
|
[21] | |||
| Compound Name |
N-(6-Anilinopyridin-2-yl)-4-propoxybenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407138; BDBM50437530
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| Activity |
IC50 ~ 100000 nM
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[9] | |||
| Compound Name |
(1S,2R,4S)-N-(Isoquinolin-3-yl)-4'H-4-azaspiro[bicyclo[2.2.2]octane-2,5'-oxazol]-2'-amine
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Investigative | Compound Info | ||
| Synonyms |
BMS-902483; CHEMBL3918431; SCHEMBL559052; BDBM50206243; (3R)-N-isoquinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine; (R)-N-(isoquinolin-3-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
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| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(3R)-N-(5-Methylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4063152; SCHEMBL10219760; BDBM50232607
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| Activity |
EC50 ~ 100000 nM
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[18] | |||
| Compound Name |
4-[[2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1940798; BDBM50419599
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| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
(3R)-N-(5-Methoxypyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4101249; BDBM50232616
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| Activity |
EC50 ~ 100000 nM
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[18] | |||
| Compound Name |
(3Ar,6aS)-5-(6-phenylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL506103
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| Activity |
EC50 ~ 100000 nM
|
[22] | |||
| Compound Name |
(3R)-N-(6-Propan-2-ylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4066807; BDBM50232617
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| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
3,7-Diazabicyclo[3.3.1]nonan-3-yl(phenyl)methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179522; SCHEMBL7094723; BDBM50397907
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| Activity |
EC50 = 100000 nM
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[8] | |||
| Compound Name |
CID 52920236
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4102566; SCHEMBL558102; BDBM50232594; (3R)-N-(6-phenylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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| Activity |
EC50 ~ 100000 nM
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[18] | |||
| Compound Name |
1-Isopropylpiperidin-4-one oxime
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Investigative | Compound Info | ||
| Synonyms |
1-Isopropyl-piperidin-4-one oxime; 4-(hydroxyimino)-1-(methylethyl)piperidine; N-(1-propan-2-ylpiperidin-4-ylidene)hydroxylamine; SCHEMBL5149872; CHEMBL3219576; CTK8A6348; ZINC4291334; MFCD04967217; SBB021194; STK313273; AKOS000174088; MCULE-4488280868; N-hydroxy-1-(propan-2-yl)piperidin-4-imine; ST45092490
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| Activity |
Ki ~ 100000 nM
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[23] | |||
| Compound Name |
7-(6-Chloropyridin-3-yl)-1,7-diazaspiro[4.4]nonane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL509239; SCHEMBL1556037; CTK2A4934; 7-(6-chloro-pyridin-3-yl)-1,7-diaza-spiro[4.4]nonane; DTXSID70471061; BDBM50257893; 1,7-Diazaspiro[4.4]nonane, 7-(6-chloro-3-pyridinyl)-
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| Activity |
EC50 ~ 100000 nM
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[20] | |||
| Compound Name |
N-Pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4064914; BDBM50232596
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| Activity |
EC50 ~ 100000 nM
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[18] | |||
| Compound Name |
2-Pyridin-3-yl-2,7-diazaspiro[4.4]nonane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL504595; SCHEMBL1556831; CTK2A4904; DTXSID20437495; BDBM50257943; 2-(pyridin-3-yl)-2,7-diazaspiro[4.4]nonane; 2,7-Diazaspiro[4.4]nonane, 2-(3-pyridinyl)-
Click to Show/Hide
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| Activity |
EC50 ~ 100000 nM
|
[20] | |||
| Compound Name |
(3R)-N-(4-Propan-2-ylpyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4095046; BDBM50232599
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| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
N-[6-(Pentylamino)pyridin-2-yl]-4-propoxybenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407136; BDBM50437532
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
(R)-N-(5-Chloropyrazin-2-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4077222; SCHEMBL2700593; BDBM50232605; (3R)-N-(5-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(R)-N-(6-Methoxypyrimidin-4-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4079623; SCHEMBL558275; BDBM50232601; (3R)-N-(6-methoxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(3R)-N-(6-Chloropyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4097654; BDBM50232602
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| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
3-(Cyclobutylmethoxy)-5-(2-phenylethynyl)pyridine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3086987; SCHEMBL14940973; BDBM50442934
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[24] | |||
| Compound Name |
(3R)-N-Pyrimidin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4092614; BDBM50232597
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
2-[5-[[(2S)-Pyrrolidin-2-yl]methoxy]pyridin-3-yl]-1,3-dihydroisoindole;hydrochloride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1258684; SCHEMBL3358397
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[25] | |||
| Compound Name |
(3R)-N-(5-Phenylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4093500; BDBM50232604
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(4-Chlorofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179544; SCHEMBL10037528; BDBM50397932
Click to Show/Hide
|
||||
| Activity |
EC50 = 100000 nM
|
[8] | |||
| Compound Name |
N-[6-(4-Chloroanilino)pyridin-2-yl]-4-propoxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2409791; BDBM50437526
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1940799; BDBM50419600
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
(3R)-N-(5-Methoxypyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4089244; BDBM50232610
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
3-Phenyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL498186; BDBM50264914
Click to Show/Hide
|
||||
| Activity |
EC50 = 100000 nM
|
[26] | |||
| Compound Name |
(3R)-N-(1,7-Naphthyridin-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4098850; BDBM50232612
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173599; SCHEMBL2599164; BDBM50322509; 3,5,5-trimethyl-2-pyridin-3-ylmorpholin-2-ol; (+/-)3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-ol
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[27] | |||
| Compound Name |
N-(4-Methoxyphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1940801; BDBM50419616
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
Trimethyl-[[1-[(1-methylpyridin-1-ium-3-yl)methyl]indol-3-yl]methyl]azanium;diiodide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3133541
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[28] | |||
| Compound Name |
N-(6-Chloropyridin-2-yl)-4-prop-2-enoxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407126; BDBM50437515
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
(3R)-N-Pyrazin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4102804; BDBM50232614
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(3R)-N-(5-Methylpyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4061082; BDBM50232613
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
CID 58088118
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3898922; SCHEMBL558574; BDBM50211215; (3R)-N-pyridin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(3R)-N-(4-Methylpyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4084852; BDBM50232598
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
3-(1,4-Diazabicyclo[3.2.2]nonane-4-yl)dibenzothiophene 5,5-dioxide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1950167; SCHEMBL1793916; BDBM50364856; 3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)dibenzothiophene 5,5-dioxide; 4-(5,5-Dioxo-5H-5lambda6-dibenzothiophen-3-yl)-1,4-diazabicyclo[3.2.2]nonane
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[21] | |||
| Compound Name |
(R)-N-(5-m-Tolylpyrimidin-2-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4071766; SCHEMBL2701293; BDBM50232608; (R)-N-(5-m-tolylpyrimidin-2-yl)-4H-1'-azaspiro [oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(3Ar,6aS)-5-(5-phenylpyridin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL496667
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[22] | |||
| Compound Name |
1-[3-(Dimethylamino)propyl]-2-oxo-4-phenylquinoline-3-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2332488; SCHEMBL11451156; BDBM50430241
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[29] | |||
| Compound Name |
N-[6-(Hexylamino)pyridin-2-yl]-4-propoxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407137; BDBM50437531
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
3-(3-(Dimethylamino)butyl)-1,1-dimethylurea
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL457965; BDBM50254598
Click to Show/Hide
|
||||
| Activity |
Ki = 100000 nM
|
[30] | |||
| Compound Name |
(3R)-N-(4-Methoxypyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4074583; BDBM50232600
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(3R)-N-(6-Methylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4083246; BDBM50232606
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
1-[5-[[(2S)-Pyrrolidin-2-yl]methoxy]pyridin-3-yl]piperazine;hydrochloride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1258574
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[25] | |||
| Compound Name |
(3R)-N-(4-Phenylpyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4098776; BDBM50232609
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
N-[6-(4-Fluoroanilino)pyridin-2-yl]-4-propoxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407141; BDBM50437527
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
CID 58088056
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4071859; SCHEMBL558264; BDBM50232611; (3R)-N-quinazolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
3-[[(2S)-Azetidin-2-yl]methoxy]-5-hex-1-ynyl-2-(trifluoromethyl)pyridine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323573; SCHEMBL14952672; BDBM221301; US9303017, (S)-32
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[31] | |||
| Compound Name |
N-[6-(4-Methoxyanilino)pyridin-2-yl]-4-propoxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2409792; BDBM50437525
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
(3R)-N-(3-Methylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4091037; BDBM50232615
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(3R)-N-Pyrimidin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4100355; BDBM50232595
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
N-(6-Piperidin-1-ylpyridin-2-yl)-4-propoxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2409794; BDBM50437523
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173600; SCHEMBL2598219; BDBM50322508; 3,5,5-trimethyl-2-pyridin-2-ylmorpholin-2-ol; (+/-)3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-ol
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[27] | |||
| Compound Name |
2-(2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)furan-3-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179537; SCHEMBL10068025; BDBM50397939
Click to Show/Hide
|
||||
| Activity |
EC50 = 100000 nM
|
[8] | |||
| Compound Name |
5'-Phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL189861; SCHEMBL373116; BDBM50170598; 5''-phenyl-3''H-4-azaspiro[bicyclo[2.2.2]octane-2,2''-furo[2,3-b]pyridine]; 5'-Phenylspiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
N-Pyrazin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4087500; BDBM50232593
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
N-[6-(2-Fluoroanilino)pyridin-2-yl]-4-propoxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407139; BDBM50437529
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
N-[6-(Benzylamino)pyridin-2-yl]-4-propoxybenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2409793; BDBM50437524
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
A-582941 Free base
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
A 582941; UNII-2MUW0L49BN; 2MUW0L49BN; CHEMBL526281; a-582491; Octahydro-2-methyl-5-(6-phenyl-3-pyridazinyl)-pyrrolo[3,4-c]pyrrole; Pyrrolo(3,4-C)pyrrole, octahydro-2-methyl-5-(6-phenyl-3-pyridazinyl)-; SCHEMBL14479461; BDBM50278956; ZINC38332063; AKOS024458103; NCGC00370937-01; Q27254996; cis-2-(6-Phenyl-pyridazin-3-yl)-5-methyloctahydro-pyrrolo[3,4-c]-pyrrole; cis-2-methyl-5-(6-phenylpyridazin-3-yl)perhydropyrrolo[3,4-c]pyrrole; (3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)octahydropyrrolo[3,4-c]pyrrole
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[32] | |||
| Compound Name |
3,7-Diazabicyclo[3.3.1]nonan-3-yl-[(1R,2S)-2-methylcyclopropyl]methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2409492; BDBM50437499
Click to Show/Hide
|
||||
| Activity |
EC50 = 100000 nM
|
[33] | |||
| Compound Name |
5-(3,7-Diazabicyclo[3.3.1]nonane-3-carbonyl)furan-3-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179550; SCHEMBL10068029; BDBM50397926
Click to Show/Hide
|
||||
| Activity |
EC50 = 110000 nM
|
[8] | |||
| Compound Name |
[1-[(3-Hydroxyphenyl)methyl]indol-3-yl]methyl-trimethylazanium;iodide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3133445
Click to Show/Hide
|
||||
| Activity |
Ki = 112000 nM
|
[28] | |||
| Compound Name |
Desformylflustrabromine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Deformylflustrabromine; CHEMBL231592; 2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-N-methylethanamine; N-(2-[6-bromo-2(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]ethyl)-N-methylamine; SCHEMBL20741471; BDBM50217055; ZINC13379454; Q5264123; {2-[6-Bromo-2-(1,1-dimethyl-allyl)-1H-indol-3-yl]-ethyl}-methyl-amine; 1H-indole-3-ethanamine, 6-bromo-2-(1,1-dimethyl-2-propenyl)-N-methyl-; 2-[6-bromo-2-(1,1-dimethylprop-2-en-1-yl)-1H-indol-3-yl]-N-methylethanamine
Click to Show/Hide
|
||||
| Activity |
IC50 = 150000 nM
|
[34] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 9 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-(3-(Dimethylamino)butyl)-3-phenylurea
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL449566; BDBM50254599
Click to Show/Hide
|
||||
| Activity |
Ki = 300000 nM
|
[30] | |||
| Compound Name |
Benzoic acid [(2S)-1-methylpyrrolidine-2-yl]methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2381568; BDBM50433572; (S)-(1-Methylpyrrolidin-2-yl)methyl benzoate
Click to Show/Hide
|
||||
| Activity |
IC50 = 313000 nM
|
[15] | |||
| Compound Name |
3-(4-Chlorophenyl)-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
RTI-371; CHEMBL1812742; BDBM50349802; Q7277837
Click to Show/Hide
|
||||
| Activity |
IC50 = 942000 nM
|
[35] | |||
| Compound Name |
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-pyridine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL86079; SCHEMBL905240; BDBM50069833; 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine; [[(2S)-1-Methyl-2-pyrrolidinyl]methyl](5-propyl-3-pyridinyl) ether
Click to Show/Hide
|
||||
| Activity |
EC50 > 1000000 nM
|
[36] | |||
| Compound Name |
2-((R)-1-Methyl-pyrrolidin-2-yl)-furo[3,2-b]pyridine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL327441; SCHEMBL7851374; BDBM50290627; 2-[(2R)-1-methylpyrrolidin-2-yl]furo[3,2-b]pyridine
Click to Show/Hide
|
||||
| Activity |
EC50 > 1000000 nM
|
[37] | |||
| Compound Name |
2-Bromo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL312962; BDBM50069831
Click to Show/Hide
|
||||
| Activity |
EC50 > 1000000 nM
|
[36] | |||
| Compound Name |
4-Bromo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL85956; SCHEMBL7374633; BDBM50069835; 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
Click to Show/Hide
|
||||
| Activity |
EC50 > 1000000 nM
|
[36] | |||
| Compound Name |
3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL312964; SCHEMBL905213; 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine; BDBM50069846
Click to Show/Hide
|
||||
| Activity |
EC50 > 1000000 nM
|
[36] | |||
| Compound Name |
(5S)-Spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
AR-R17779; CHEMBL193016; UNII-C3VZ57BN3M; C3VZ57BN3M; SCHEMBL676252; (-)-Spiro[1-azabicyclo(2.2.2)octane-3,5''-oxazolidin-2''-one]; ZINC7403; CTK8F0364; DTXSID60415499; ARR-1779; BCP24016; AR-R13489; BDBM50164613; AKOS015962649; Q4653530; (S)-Spiro[1-azabicyclo[2.2.2]octan-3,5'-oxazolidin]-2'-one; (3S)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one; (S)-1''-azaspiro[oxazolidine-5,8''-bicyclo[2.2.2]octan]-2-one; (S)-4-Azaspiro[bicyclo[2.2.2]octane-2,5'-oxazolidin]-2'-one; (2S)-2''H-spiro[4-azabicyclo[2.2.2]octane-2,5''-[1,3]oxazolidin]-2''-one
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| Activity |
IC50 > 2000000 nM
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| References | Top | ||||
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| REF 9 | Discovery of benzamide analogs as negative allosteric modulators of human neuronal nicotinic receptors: pharmacophore modeling and structure-activity relationship studies. Bioorg Med Chem. 2013 Aug 1;21(15):4730-43. | ||||
| REF 10 | Absolute Configuration and Pharmacology of the Poison Frog Alkaloid Phantasmidine. J Nat Prod. 2018 Apr 27;81(4):1029-1035. | ||||
| REF 11 | Drimane Sesquiterpenoids Noncompetitively Inhibit Human alpha42 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human alpha34 and alpha7 Subtypes. J Nat Prod. 2018 Apr 27;81(4):811-817. | ||||
| REF 12 | Deconstruction of the alpha42 nicotinic acetylcholine receptor positive allosteric modulator desformylflustrabromine. J Med Chem. 2011 Oct 27;54(20):7259-67. | ||||
| REF 13 | Chemistry and Pharmacology of a Series of Unichiral Analogues of 2-(2-Pyrrolidinyl)-1,4-benzodioxane, Prolinol Phenyl Ether, and Prolinol 3-Pyridyl Ether Designed as alpha42-Nicotinic Acetylcholine Receptor Agonists. J Med Chem. 2015 Aug 27;58(16):6665-77. | ||||
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| REF 17 | Structure-activity studies and analgesic efficacy of N-(3-pyridinyl)-bridged bicyclic diamines, exceptionally potent agonists at nicotinic acetylcholine receptors. J Med Chem. 2007 Jul 26;50(15):3627-44. | ||||
| REF 18 | Design and synthesis of a novel series of 4-heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes as alpha7 nicotinic receptor agonists 2. Development of 4-heteroaryl SAR. Bioorg Med Chem Lett. 2017 Mar 1;27(5):1261-1266. | ||||
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| REF 36 | Synthesis and structure-activity relationships of pyridine-modified analogs of 3-[2-((S)-pyrrolidinyl)methoxy]pyridine, A-84543, a potent nicotinic acetylcholine receptor agonist. Bioorg Med Chem Lett. 1998 Feb 3;8(3):249-54. | ||||
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