TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T63967 Neuronal acetylcholine receptor alpha-4/beta-2 D0K0KH Tropisetron Approved 656665 C17H20N2O2 284.35 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 Ki = 55000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 D0K7WK Ondansetron Approved 4595 C18H19N3O 293.4 CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C IC50 = 66000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 D0Q9HF Acetylcholine Approved 187 C7H16NO2+ 146.21 CC(=O)OCC[N+](C)(C)C EC50 = 70000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B0EI1H (1R,4R)-2-[5-Hydroxy-3-pyridinyl]-2,5-diazabicyclo[2.2.1]-heptane Investigative 10198017 C10H13N3O 191.23 C1C2CNC1CN2C3=CC(=CN=C3)O EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B0PD5Z 2-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide Investigative 56926498 C15H18FN5O3S 367.4 C1CN(CCN1CC(=O)NC2=CC=NN2)S(=O)(=O)C3=CC=C(C=C3)F IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B0PKX8 (3R)-N-(6-Methylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137649484 C14H19N5O 273.33 CC1=CC(=NC=N1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B14CFB N-(1H-Pyrazol-5-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide Investigative 56926723 C14H18N6O3S 350.4 C1CN(CCN1CC(=O)NC2=CC=NN2)S(=O)(=O)C3=CN=CC=C3 IC50 = 83000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B1H0ZR N-(6-Chloropyridin-2-yl)-4-propoxybenzamide Investigative 71727772 C15H15ClN2O2 290.74 CCCOC1=CC=C(C=C1)C(=O)NC2=NC(=CC=C2)Cl IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B1TZJ3 Dianicline Investigative 10176764 C13H16N2O 216.28 C1CN2CC[C@@]3(C2)[C@H]1OC4=C(C3)N=CC=C4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B20HDJ 2-(6-Chloropyridin-3-yl)-2,7-diazaspiro[4.4]nonane Investigative 22291236 C12H16ClN3 237.73 C1CNCC12CCN(C2)C3=CN=C(C=C3)Cl EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B20WLE N-[6-(3-Fluoroanilino)pyridin-2-yl]-4-propoxybenzamide Investigative 71727900 C21H20FN3O2 365.4 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)NC3=CC(=CC=C3)F IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B2I6CX 2-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)xanthen-9-one Investigative 11461365 C20H20N2O2 320.4 CN1CC2CN(CC2C1)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B2MHT9 N-(6-Anilinopyridin-2-yl)-4-propoxybenzamide Investigative 71727898 C21H21N3O2 347.4 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)NC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B2P6QG (1S,2R,4S)-N-(Isoquinolin-3-yl)-4'H-4-azaspiro[bicyclo[2.2.2]octane-2,5'-oxazol]-2'-amine Investigative 44247585 C18H20N4O 308.4 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=CC5=CC=CC=C5C=N4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B2VB8U (3R)-N-(5-Methylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 58081856 C14H19N5O 273.33 CC1=CN=C(C=N1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B34HMC 5-(3,7-Diazabicyclo[3.3.1]nonane-3-carbonyl)furan-3-carbonitrile Investigative 68024620 C13H15N3O2 245.28 C1C2CNCC1CN(C2)C(=O)C3=CC(=CO3)C#N EC50 = 110000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B38UAB 4-[[2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoic acid Investigative 56926617 C19H20FN3O5S 421.4 C1CN(CCN1CC(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3F IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B3AGF6 (3R)-N-(5-Methoxypyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137660090 C14H19N5O2 289.33 COC1=NC=C(N=C1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B3NGV4 (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 Investigative 44592633 C18H19F3N4O2 380.4 C1[C@@H]2CN(C[C@@H]2CN1)C3=NN=C(C=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B46SDE (3R)-N-(6-Propan-2-ylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137633214 C16H23N5O 301.39 CC(C)C1=CC(=NC=N1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B4CT7F 2-(6-Bromo-2-propyl-1H-indol-3-yl)-N-methylethanamine Investigative 56594105 C14H19BrN2 295.22 CCCC1=C(C2=C(N1)C=C(C=C2)Br)CCNC EC50 = 72443.6 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B4EF2W 3,7-Diazabicyclo[3.3.1]nonan-3-yl(phenyl)methanone Investigative 18177037 C14H18N2O 230.31 C1C2CNCC1CN(C2)C(=O)C3=CC=CC=C3 EC50 = 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B52KGQ 1-Ethyl-4-phenylthiomorpholin-1-ium;trifluoromethanesulfonate Investigative 137637992 C13H18F3NO3S2 357.4 CC[S+]1CCN(CC1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-] IC50 = 51000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B5D3EM 3-(Dimethylamino)butyl 3-methylazetidine-1-carboxylate;oxalic acid Investigative 49859909 C13H24N2O6 304.34 CC1CN(C1)C(=O)OCCC(C)N(C)C.C(=O)(C(=O)O)O EC50 = 85000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B5FQV1 CID 52920236 Investigative 52920236 C19H21N5O 335.4 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=NC=NC(=C4)C5=CC=CC=C5 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B5LWF2 1-Isopropylpiperidin-4-one oxime Investigative 7172378 C8H16N2O 156.23 CC(C)N1CCC(=NO)CC1 Ki ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B67SLP (2E)-1-[(4-Azidopyridin-3-yl)methyl]-N-nitro-1,3-dihydro-2H-imidazol-2-imine Investigative 11086486 C9H8N8O2 260.209 C1=CN=CC(=C1N=[N+]=[N-])CN2C=CN=C2N[N+](=O)[O-] Ki = 95800 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B6DLS9 7-(6-Chloropyridin-3-yl)-1,7-diazaspiro[4.4]nonane Investigative 11715647 C12H16ClN3 237.73 C1CC2(CCN(C2)C3=CN=C(C=C3)Cl)NC1 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B6L4QY N-Pyrimidin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137635141 C13H17N5O 259.31 C1CN2CCC1C3(C2)CN=C(O3)NC4=NC=NC=C4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B6SQ3H Phantasmidine Investigative 45379093 C11H11ClN2O 222.67 C1C[C@]23[C@H]1NC[C@H]2C4=C(O3)N=C(C=C4)Cl EC50 = 56000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B7K9GP Polygodial Investigative 72503 C15H22O2 234.33 C[C@]12CCCC([C@@H]1CC=C([C@@H]2C=O)C=O)(C)C IC50 = 62500 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B7Y1GK 2-Pyridin-3-yl-2,7-diazaspiro[4.4]nonane Investigative 10262309 C12H17N3 203.28 C1CNCC12CCN(C2)C3=CN=CC=C3 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B82AGI 4-Chlorobenzoic acid [(2S)-1-methylpyrrolidine-2-yl]methyl ester Investigative 73348844 C13H16ClNO2 253.72 CN1CCC[C@H]1COC(=O)C2=CC=C(C=C2)Cl IC50 = 95000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 B9VEY0 (3R)-N-(4-Propan-2-ylpyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137655697 C16H23N5O 301.39 CC(C)C1=NC(=NC=C1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BA0O3M N-[6-(Pentylamino)pyridin-2-yl]-4-propoxybenzamide Investigative 71727896 C20H27N3O2 341.4 CCCCCNC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)OCCC IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BA35PX (R)-N-(5-Chloropyrazin-2-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine Investigative 52920234 C13H16ClN5O 293.75 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=CN=C(C=N4)Cl EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BB7Y1T (R)-N-(6-Methoxypyrimidin-4-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine Investigative 52920232 C14H19N5O2 289.33 COC1=NC=NC(=C1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BBLE37 Varenicline Investigative 170361 C13H13N3 211.26 C1C2CNCC1C3=CC4=NC=CN=C4C=C23 IC50 = 50000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BBO7Z1 (3R)-N-(6-Chloropyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137660174 C13H16ClN5O 293.75 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=CC(=NC=N4)Cl EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BBV1E8 N-(6-Bromopyridin-2-yl)-4-prop-2-enoxybenzamide Investigative 47461992 C15H13BrN2O2 333.18 C=CCOC1=CC=C(C=C1)C(=O)NC2=NC(=CC=C2)Br IC50 = 70100 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BC06YI 3-(Cyclobutylmethoxy)-5-(2-phenylethynyl)pyridine Investigative 72712462 C18H17NO 263.3 C1CC(C1)COC2=CN=CC(=C2)C#CC3=CC=CC=C3 Ki ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BCK4E8 (3R)-N-Pyrimidin-5-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137654434 C13H17N5O 259.31 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=CN=CN=C4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BDOT63 2-[5-[[(2S)-Pyrrolidin-2-yl]methoxy]pyridin-3-yl]-1,3-dihydroisoindole;hydrochloride Investigative 52948803 C18H22ClN3O 331.8 C1C[C@H](NC1)COC2=CN=CC(=C2)N3CC4=CC=CC=C4C3.Cl IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BDTG17 (3R)-N-(5-Phenylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137654242 C19H21N5O 335.4 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=NC=C(N=C4)C5=CC=CC=C5 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BE5Z9R (4-Chlorofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone Investigative 59268918 C12H15ClN2O2 254.71 C1C2CNCC1CN(C2)C(=O)C3=CC(=CO3)Cl EC50 = 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BEI4K8 N-[6-(4-Chloroanilino)pyridin-2-yl]-4-propoxybenzamide Investigative 71728020 C21H20ClN3O2 381.9 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)NC3=CC=C(C=C3)Cl IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BET93F 2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide Investigative 56926722 C15H18FN5O3S 367.4 C1CN(CCN1CC(=O)NC2=CC=NN2)S(=O)(=O)C3=CC=CC=C3F IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BETD61 (3R)-N-(5-Methoxypyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137644928 C14H19N5O2 289.33 COC1=CN=C(N=C1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BEU60O N-[6-(Butylamino)pyridin-2-yl]-4-propoxybenzamide Investigative 71727895 C19H25N3O2 327.4 CCCCNC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)OCCC IC50 = 54100 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BF37WA 5-[[(2S)-1-Methylpyrrolidin-2-yl]methoxy]pyridin-3-ol Investigative 122185338 C11H16N2O2 208.26 CN1CCC[C@H]1COC2=CN=CC(=C2)O EC50 = 73000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BFH0C8 (3-Chlorofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone Investigative 24945300 C12H15ClN2O2 254.71 C1C2CNCC1CN(C2)C(=O)C3=C(C=CO3)Cl EC50 = 76000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BFZ9H2 3-Phenyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole Investigative 44580284 C17H18N4O 294.35 C1CNCCC1N2C=C(C=N2)C3=CC(=NO3)C4=CC=CC=C4 EC50 = 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BG18OB (3R)-N-(1,7-Naphthyridin-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137659736 C17H19N5O 309.4 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=NC=C5C(=C4)C=CC=N5 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BGH80W 3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-ol Investigative 49799236 C12H18N2O2 222.28 CC1C(OCC(N1)(C)C)(C2=CN=CC=C2)O IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BGR3E1 N-(4-Methoxyphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide Investigative 39010244 C18H22N4O4S 390.5 COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CN=CC=C3 IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BH5UI3 Trimethyl-[[1-[(1-methylpyridin-1-ium-3-yl)methyl]indol-3-yl]methyl]azanium;diiodide Investigative 76325731 C19H25I2N3 549.2 C[N+]1=CC=CC(=C1)CN2C=C(C3=CC=CC=C32)C[N+](C)(C)C.[I-].[I-] IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BH6IB2 N-(6-Chloropyridin-2-yl)-4-prop-2-enoxybenzamide Investigative 71727769 C15H13ClN2O2 288.73 C=CCOC1=CC=C(C=C1)C(=O)NC2=NC(=CC=C2)Cl IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BH9B6C (3R)-N-Pyrazin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137657023 C13H17N5O 259.31 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=NC=CN=C4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BJ5VE7 (3R)-N-(5-Methylpyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137635902 C14H19N5O 273.33 CC1=CN=C(N=C1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BK53FO CID 58088118 Investigative 58088118 C14H18N4O 258.32 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=CC=CC=N4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BL9B3C (3R)-N-(4-Methylpyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137647317 C14H19N5O 273.33 CC1=NC(=NC=C1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BLP30N 3-(1,4-Diazabicyclo[3.2.2]nonane-4-yl)dibenzothiophene 5,5-dioxide Investigative 57334716 C19H20N2O2S 340.4 C1CN2CCC1N(CC2)C3=CC4=C(C=C3)C5=CC=CC=C5S4(=O)=O EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BML9B7 (R)-N-(5-m-Tolylpyrimidin-2-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine Investigative 58081870 C20H23N5O 349.4 CC1=CC(=CC=C1)C2=CN=C(N=C2)NC3=NC[C@]4(O3)CN5CCC4CC5 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BMOH90 (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 Investigative 44592539 C19H20F3N3O2 379.4 C1[C@@H]2CN(C[C@@H]2CN1)C3=CN=CC(=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BMU41A 1-[3-(Dimethylamino)propyl]-2-oxo-4-phenylquinoline-3-carbonitrile Investigative 23332842 C21H21N3O 331.4 CN(C)CCCN1C2=CC=CC=C2C(=C(C1=O)C#N)C3=CC=CC=C3 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BMX5B2 N-[6-(Hexylamino)pyridin-2-yl]-4-propoxybenzamide Investigative 71727897 C21H29N3O2 355.5 CCCCCCNC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)OCCC IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BN07RM 3-(3-(Dimethylamino)butyl)-1,1-dimethylurea Investigative 44570098 C9H21N3O 187.28 CC(CCNC(=O)N(C)C)N(C)C Ki = 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BN7D6E (3R)-N-(4-Methoxypyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137649905 C14H19N5O2 289.33 COC1=NC(=NC=C1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BNS60U (3R)-N-(6-Methylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137645815 C14H19N5O 273.33 CC1=CN=CC(=N1)NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BO5A9Q Desformylflustrabromine Investigative 637026 C16H21BrN2 321.25 CC(C)(C=C)C1=C(C2=C(N1)C=C(C=C2)Br)CCNC IC50 = 150000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BPF83H 2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenoxyphenyl)methanone Investigative 71451944 C19H20N2O2 308.4 C1C2CN(CC2CN1)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 EC50 = 51000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BPV89L 1-[5-[[(2S)-Pyrrolidin-2-yl]methoxy]pyridin-3-yl]piperazine;hydrochloride Investigative 52945135 C14H23ClN4O 298.81 C1C[C@H](NC1)COC2=CN=CC(=C2)N3CCNCC3.Cl IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BQ2FC1 (3R)-N-(4-Phenylpyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137660214 C19H21N5O 335.4 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=NC=CC(=N4)C5=CC=CC=C5 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BQ8FG7 [1-[(3-Hydroxyphenyl)methyl]indol-3-yl]methyl-trimethylazanium;iodide Investigative 76322102 C19H23IN2O 422.3 C[N+](C)(C)CC1=CN(C2=CC=CC=C21)CC3=CC(=CC=C3)O.[I-] Ki = 112000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BR7EK6 N-[6-(4-Fluoroanilino)pyridin-2-yl]-4-propoxybenzamide Investigative 71727901 C21H20FN3O2 365.4 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)NC3=CC=C(C=C3)F IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BRF3D5 CID 58088056 Investigative 58088056 C17H19N5O 309.4 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=NC5=CC=CC=C5C=N4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BRM3E9 3-[[(2S)-Azetidin-2-yl]methoxy]-5-hex-1-ynyl-2-(trifluoromethyl)pyridine Investigative 71584827 C16H19F3N2O 312.33 CCCCC#CC1=CC(=C(N=C1)C(F)(F)F)OC[C@@H]2CCN2 Ki ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BS2WB7 N-[6-(4-Methoxyanilino)pyridin-2-yl]-4-propoxybenzamide Investigative 71728021 C22H23N3O3 377.4 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)NC3=CC=C(C=C3)OC IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BS6VY1 (3R)-N-(3-Methylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137644763 C14H19N5O 273.33 CC1=NC=CN=C1NC2=NC[C@]3(O2)CN4CCC3CC4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BT7PS4 (3R)-N-Pyrimidin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137659815 C13H17N5O 259.31 C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=NC=CC=N4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BTW79U N-(6-Bromopyridin-2-yl)-4-propoxybenzamide Investigative 71727771 C15H15BrN2O2 335.2 CCCOC1=CC=C(C=C1)C(=O)NC2=NC(=CC=C2)Br IC50 = 80700 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BV0E5X N-(6-Piperidin-1-ylpyridin-2-yl)-4-propoxybenzamide Investigative 71728023 C20H25N3O2 339.4 CCCOC1=CC=C(C=C1)C(=O)NC2=NC(=CC=C2)N3CCCCC3 IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BV2UL1 3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-ol Investigative 49799237 C12H18N2O2 222.28 CC1C(OCC(N1)(C)C)(C2=CC=CC=N2)O IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BW94OH 2-(2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)furan-3-carbonitrile Investigative 68024616 C12H13N3O2 231.25 C1C2CN(CC2CN1)C(=O)C3=C(C=CO3)C#N EC50 = 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BX6KB4 5'-Phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] Investigative 10085732 C19H20N2O 292.4 C1CN2CCC1C3(C2)CC4=C(O3)N=CC(=C4)C5=CC=CC=C5 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BY7JG4 N-Pyrazin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine Investigative 137643408 C13H17N5O 259.31 C1CN2CCC1C3(C2)CN=C(O3)NC4=NC=CN=C4 EC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BY8V5O N-[6-(2-Fluoroanilino)pyridin-2-yl]-4-propoxybenzamide Investigative 71727899 C21H20FN3O2 365.4 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)NC3=CC=CC=C3F IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BZ3HW7 N-[6-(Benzylamino)pyridin-2-yl]-4-propoxybenzamide Investigative 71728022 C22H23N3O2 361.4 CCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=N2)NCC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BZA25R A-582941 Free base Investigative 44190553 C17H20N4 280.37 CN1C[C@@H]2CN(C[C@@H]2C1)C3=NN=C(C=C3)C4=CC=CC=C4 Ki ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 BZUD98 3,7-Diazabicyclo[3.3.1]nonan-3-yl-[(1R,2S)-2-methylcyclopropyl]methanone Investigative 73347561 C12H20N2O 208.3 C[C@H]1C[C@H]1C(=O)N2CC3CC(C2)CNC3 EC50 = 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 D03JPN A-582941 Investigative 11173546 C17H20N4 280.37 CN1CC2CN(CC2C1)C3=NN=C(C=C3)C4=CC=CC=C4 Ki ~ 100000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 D06FLU 3,8-dibromoboldine Investigative 10480509 C19H19Br2NO4 485.2 CN1CCC2=C3[C@@H]1CC4=C(C(=C(C=C4C3=C(C(=C2Br)O)OC)OC)O)Br IC50 = 101000 nM Poor binder T63967 Neuronal acetylcholine receptor alpha-4/beta-2 D09BSE 3-bromoboldine Investigative 10409038 C19H20BrNO4 406.3 CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2Br)O)OC)OC)O IC50 = 99000 nM Poor binder