TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T83717 Neuronal acetylcholine receptor protein alpha-7 subunit D0Q9HF Acetylcholine Approved 187 C7H16NO2+ 146.21 CC(=O)OCC[N+](C)(C)C EC50 = 69000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit D0T8GD Nicotine Approved 89594 C10H14N2 162.23 CN1CCC[C@H]1C2=CN=CC=C2 EC50 = 83000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit D0U7BW Carbachol Approved 2551 C6H15N2O2+ 147.2 C[N+](C)(C)CCOC(=O)N Ki = 66000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit D0X4ZR Bupropion Approved 444 C13H18ClNO 239.74 CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C IC50 = 50000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit D04HYP ABT-594 Discontinued in Phase 2 3075702 C9H11ClN2O 198.65 C1CN[C@H]1COC2=CN=C(C=C2)Cl EC50 = 56000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B01DYG 6-Methoxy-1,2-propano-1,2,3,4-tetrahydroisoquinoline Investigative 11106445 C13H17NO 203.28 COC1=CC2=C(C=C1)C3CCCN3CC2 EC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B0LQ8K [(2S)-1-Methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate Investigative 73347339 C16H18N2O2 270.33 CN1CCC[C@H]1COC(=O)C2=CC3=CC=CC=C3N=C2 IC50 = 97300 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B1J3FS 2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyridin-2-yl)methanone Investigative 66211794 C12H15N3O 217.27 C1C2CN(CC2CN1)C(=O)C3=CC=CC=N3 Ki = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B1UF2Z 6,7-Dimethoxy-2-methyl-2-propyl-3,4-dihydro-1H-isoquinolin-2-ium;iodide Investigative 137636378 C15H24INO2 377.26 CCC[N+]1(CCC2=CC(=C(C=C2C1)OC)OC)C.[I-] IC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B2F3UX 1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinoline Investigative 12272373 C12H15N 173.25 C1CC2C3=CC=CC=C3CCN2C1 IC50 = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B3BNZ7 [(2S)-1-Methylpyrrolidin-2-yl]methyl 6-chloropyridine-3-carboxylate Investigative 73353403 C12H15ClN2O2 254.71 CN1CCC[C@H]1COC(=O)C2=CN=C(C=C2)Cl IC50 = 58500 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B3G6CN 2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone Investigative 71682672 C11H18N2O 194.27 C[C@H]1C[C@@H]1C(=O)N2CC3CNCC3C2 Ki = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B4DUO0 (1R,16R)-16-Methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one Investigative 44354684 C16H21NO3 275.34 CO[C@@H]1CC=C2CCN3[C@@]2(C1)C4=C(CC3)COC(=O)C4 IC50 = 98000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit 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 = 73000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B5D2PQ O-Methylcorypalline Investigative 27694 C12H17NO2 207.27 CN1CCC2=CC(=C(C=C2C1)OC)OC IC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B6DS0X [20-[[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl-dimethyl-[(4-nitrophenyl)methyl]azanium;dibromide Investigative 17758335 C38H40Br2N6O4 804.6 C[N+](C)(CC1=CC=C(C=C1)[N+](=O)[O-])CC2=C3CN4C(=C(C5=CC=CC=C54)C[N+](C)(C)CC6=CC=C(C=C6)[N+](=O)[O-])CN3C7=CC=CC=C72.[Br-].[Br-] IC50 = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B6JL1Y 6-Methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline Investigative 41221 C11H15NO 177.24 CN1CCC2=C(C1)C=CC(=C2)OC IC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B6XO7L (10Bs)-8,9-dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline Investigative 24823533 C14H19NO2 233.31 COC1=C(C=C2[C@@H]3CCCN3CCC2=C1)OC IC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B7K9GP Polygodial Investigative 72503 C15H22O2 234.33 C[C@]12CCCC([C@@H]1CC=C([C@@H]2C=O)C=O)(C)C IC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B84VPY (E)-3-(2,4-Dihydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)prop-2-en-1-one Investigative 118714574 C15H12O6 288.25 C1=CC(=C(C=C1O)O)/C=C/C(=O)C2=CC(=C(C=C2O)O)O EC50 = 67000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B8JBZ3 [(2S)-1-Methylpyrrolidin-2-yl]methyl 6-phenylmethoxypyridine-3-carboxylate Investigative 73350433 C19H22N2O3 326.4 CN1CCC[C@H]1COC(=O)C2=CN=C(C=C2)OCC3=CC=CC=C3 IC50 = 59100 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit B9JT0Z (E)-3-(2,4-Dihydroxyphenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one Investigative 78210299 C15H12O5 272.25 C1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=CC(=C2)O)O EC50 = 125000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BA7ZD4 4,2',5'-Trihydroxychalcone Investigative 5980988 C15H12O4 256.25 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=CC(=C2)O)O)O EC50 = 56000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BAJ7Q3 Nornicotine Investigative 412 C9H12N2 148.2 C1CC(NC1)C2=CN=CC=C2 Ki = 138000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BBU0Y2 (+)-Crispine A Investigative 11673094 C14H19NO2 233.31 COC1=C(C=C2[C@H]3CCCN3CCC2=C1)OC EC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BCE79Z 8,9-Dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline Investigative 10263398 C14H19NO2 233.31 COC1=C(C=C2C3CCCN3CCC2=C1)OC EC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BE1W2K Trimethyl-[[20-[(trimethylazaniumyl)methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl]azanium;diiodide Investigative 44408895 C26H34I2N4 656.4 C[N+](C)(C)CC1=C2CN3C(=C(C4=CC=CC=C43)C[N+](C)(C)C)CN2C5=CC=CC=C51.[I-].[I-] IC50 = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BEIN65 1,1-Diethyl-4-phenylpiperazin-1-ium Investigative 11581017 C14H23N2+ 219.35 CC[N+]1(CCN(CC1)C2=CC=CC=C2)CC IC50 = 55000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BEM50L 2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone Investigative 24945123 C11H14N2O2 206.24 C1C2CN(CC2CN1)C(=O)C3=COC=C3 Ki = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BF38WZ (1S)-16-Methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one Investigative 73759679 C16H21NO3 275.34 COC1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4 IC50 = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BHL28J 2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-methoxyphenyl)methanone Investigative 66213161 C14H18N2O2 246.3 COC1=CC=C(C=C1)C(=O)N2CC3CNCC3C2 Ki = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BIX8Z4 1-[(1R,5S)-8-Azabicyclo[3.2.1]oct-2-en-2-yl]ethanone Investigative 11332920 C9H13NO 151.21 CC(=O)C1=CC[C@@H]2CC[C@H]1N2 Ki = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BK2E1J [20-[[Dimethyl(prop-2-enyl)azaniumyl]methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl-dimethyl-prop-2-enylazanium;dibromide Investigative 44408940 C30H38Br2N4 614.5 C[N+](C)(CC=C)CC1=C2CN3C(=C(C4=CC=CC=C43)C[N+](C)(C)CC=C)CN2C5=CC=CC=C51.[Br-].[Br-] IC50 = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BKHT98 2,5-Difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline Investigative 90666446 C19H21F2N3 329.4 C1CN(CCC1=NNC2=C(C=CC(=C2)F)F)CCC3=CC=CC=C3 Ki ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BLAF56 (3Ar,6aS)-5-(5-ethoxypyridin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride Investigative 44190223 C13H21Cl2N3O 306.23 CCOC1=CN=CC(=C1)N2C[C@H]3CNC[C@H]3C2.Cl.Cl EC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit 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 T83717 Neuronal acetylcholine receptor protein alpha-7 subunit 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 T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BP10FV Thiacloprid Investigative 115224 C10H9ClN4S 252.72 C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl IC50 = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit 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 = 145000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BQHX70 (+)-Pyrido[3,4-b]homotropane Investigative 13996231 C11H14N2 174.24 C1CC2C3=C(CCC1N2)C=CN=C3 Ki ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BR89DI 3,7-Diazabicyclo[3.3.1]nonan-3-yl-(4-methoxyphenyl)methanone Investigative 71455499 C15H20N2O2 260.329 COC1=CC=C(C=C1)C(=O)N2CC3CC(C2)CNC3 Ki = 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BRUZ59 Corypalline Investigative 280225 C11H15NO2 193.24 CN1CCC2=CC(=C(C=C2C1)O)OC EC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BTP26N (1R,3Ar,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1-((pyridin-3-yloxy)methyl)octahydropyrrolo[3,4-c]pyrrole Investigative 46225231 C23H25N5O 387.5 CN1C[C@@H]2CN(C[C@@H]2[C@@H]1COC3=CN=CC=C3)C4=NN=C(C=C4)C5=CC=CC=C5 EC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BW9L6R Dendocarbin A Investigative 10911949 C15H22O3 250.33 C[C@]12CCCC([C@@H]1CC=C3[C@@H]2[C@@H](OC3=O)O)(C)C IC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BWJ0O7 [3-(2,3,4,5-Tetrahydropyridin-6-yl)phenyl]methanol Investigative 127027055 C12H15NO 189.25 C1CCN=C(C1)C2=CC=CC(=C2)CO EC50 = 60000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BXSM15 Hydrohydrastinine Investigative 22301 C11H13NO2 191.23 CN1CCC2=CC3=C(C=C2C1)OCO3 EC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BY1NU5 6,7-Dimethoxy-2-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-2-ium;bromide Investigative 137639518 C15H22BrNO2 328.24 C[N+]1(CCC2=CC(=C(C=C2C1)OC)OC)CC=C.[Br-] IC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit BZT06E 3-(2-Chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole Investigative 24894145 C18H19ClN4O 342.8 CC1=C(C=NN1C2CCNCC2)C3=CC(=NO3)C4=CC=CC=C4Cl EC50 ~ 100000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit D08XRH DMPP Investigative 1316 C12H19N2+ 191.29 C[N+]1(CCN(CC1)C2=CC=CC=C2)C EC50 = 95000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit D0LH4L BOLDINE Investigative 10154 C19H21NO4 327.4 CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O Ki = 67000 nM Poor binder T83717 Neuronal acetylcholine receptor protein alpha-7 subunit D0V0AW TC-2559 Investigative 9823180 C12H18N2O 206.28 CCOC1=CN=CC(=C1)/C=C/CCNC Ki = 71000 nM Poor binder