TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T67684 Muscarinic acetylcholine receptor M3 B02WDC Xanomeline Investigative 60809 C14H23N3OS 281.42 CCCCCCOC1=NSN=C1C2=CCCN(C2)C EC50 = 39800000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B0LCK4 4-[4-(4-Hydroxy-4,4-diphenylbutyl)-4-methylpiperazin-4-ium-1-yl]-1,1-diphenylbutan-1-ol;iodide Investigative 44448499 C37H45IN2O2 676.7 C[N+]1(CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(C4=CC=CC=C4)(C5=CC=CC=C5)O.[I-] Ki = 182000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B19XTZ 4-[4-[1-(4-Hydroxy-4,4-diphenylbutyl)-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium-1-yl]-1,1-diphenylbutan-1-ol;diiodide Investigative 44448383 C44H58I2N2O2 900.8 C[N+]1(CCC(CC1)C2CC[N+](CC2)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCC(C5=CC=CC=C5)(C6=CC=CC=C6)O.[I-].[I-] Ki = 2690000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B1KPY8 4-[4-(1,1-Dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]-1,1-diphenylbutan-1-ol;diiodide Investigative 44448379 C29H44I2N2O 690.5 C[N+]1(CCC(CC1)C2CC[N+](CC2)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[I-].[I-] Ki = 275000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B2DO3R 1-Azabicyclo[2.2.2]octan-2-yl(diphenyl)methanol;hydrobromide Investigative 49797556 C20H24BrNO 374.3 C1CN2CCC1CC2C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Br IC50 = 6599000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B2TJ5E 4-[2-[(4-Hydroxy-4,4-diphenylbutyl)-methylamino]ethyl-methylamino]-1,1-diphenylbutan-1-ol;dihydrochloride Investigative 49797390 C36H46Cl2N2O2 609.7 CN(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CCN(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl.Cl Ki = 2630000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B47IWT Ethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate Investigative 4995951 C23H24N2O4 392.4 CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C Ki = 1380000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B4QG5Z 4-[4-[1-(4-Hydroxy-4,4-diphenylbutyl)piperidin-4-yl]piperidin-1-yl]-1,1-diphenylbutan-1-ol;dihydrochloride Investigative 49797389 C42H54Cl2N2O2 689.8 C1CN(CCC1C2CCN(CC2)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCC(C5=CC=CC=C5)(C6=CC=CC=C6)O.Cl.Cl Ki = 1380000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B57EYL 3-Methoxy-4-[12-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]dodecoxy]-1,2,5-thiadiazole Investigative 11071537 C23H37N5O3S2 495.7 CN1CCC=C(C1)C2=NSN=C2OCCCCCCCCCCCCOC3=NSN=C3OC EC50 = 2510000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B5DKA3 (4-Hydroxy-4,4-diphenylbutyl)-[3-[(4-hydroxy-4,4-diphenylbutyl)-dimethylazaniumyl]propyl]-dimethylazanium;diiodide Investigative 44448418 C39H52I2N2O2 834.6 C[N+](C)(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CCC[N+](C)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-].[I-] Ki = 81300000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B72EXB 3-[4-[Hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]propan-1-ol;bromide Investigative 42625939 C23H30BrNO2 432.4 C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCO.[Br-] IC50 = 29509000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B75OCY 4-[Hydroxy(diphenyl)methyl]-1-propyl-1-azoniabicyclo[2.2.2]octane bromide Investigative 11531768 C23H30BrNO 416.4 CCC[N+]12CCC(CC1)(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-] IC50 = 208000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B8JN9T 1,1-Diphenyl-4-piperazin-1-ylbutan-1-ol;dihydrochloride Investigative 49797395 C20H28Cl2N2O 383.4 C1CN(CCN1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl.Cl Ki = 1510000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B8LSW9 Diphenyl-[1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl]methanol;bromide Investigative 42625858 C28H32BrNO 478.5 C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5.[Br-] IC50 = 2824000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B9C0OK 4-[3-[(4-Hydroxy-4,4-diphenylbutyl)-methylamino]propyl-methylamino]-1,1-diphenylbutan-1-ol;dihydrochloride Investigative 49797388 C37H48Cl2N2O2 623.7 CN(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CCCN(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl.Cl Ki = 575000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 B9VT7Z 4-[Hydroxy(diphenyl)methyl]-1-[3-(methyloxy)propyl]-1-azoniabicyclo[2.2.2]octane Bromide Investigative 42625941 C24H32BrNO2 446.4 COCCC[N+]12CCC(CC1)(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-] IC50 = 829000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BA1SK9 4-[Hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octane Bromide Investigative 11517306 C22H28BrNO2 418.4 C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCO.[Br-] IC50 = 486000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BA86IS 2-[2-[4-[Hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethoxymethyl]benzonitrile;bromide Investigative 42626014 C30H33BrN2O2 533.5 C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5C#N.[Br-] IC50 = 5403000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BCA76V (4-Hydroxy-4,4-diphenylbutyl)-[2-[(4-hydroxy-4,4-diphenylbutyl)-dimethylazaniumyl]ethyl]-dimethylazanium;diiodide Investigative 44448456 C38H50I2N2O2 820.6 C[N+](C)(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CC[N+](C)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-].[I-] Ki = 22900000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BCAJ53 1,1-Diphenyl-4-(4-phenylpiperazin-1-yl)butan-1-ol;hydrochloride Investigative 49797392 C26H31ClN2O 423 C1CN(CCN1CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=CC=C4.Cl Ki = 14100000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BE7M1V 4-(4,4-Dimethylpiperazin-4-ium-1-yl)-1,1-diphenylbutan-1-ol;iodide Investigative 44448537 C22H31IN2O 466.4 C[N+]1(CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[I-] Ki = 245000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BEZJ94 4-(1-Methyl-4-phenylpiperazin-1-ium-1-yl)-1,1-diphenylbutan-1-ol;iodide Investigative 44448495 C27H33IN2O 528.5 C[N+]1(CCN(CC1)C2=CC=CC=C2)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-] Ki = 132000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BF9AE0 1-Azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol;hydrobromide Investigative 49797557 C20H24BrNO 374.3 C1CN2CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Br IC50 = 1068000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BG61NE [1-(2-Aminoethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide Investigative 42625937 C22H29BrN2O 417.4 C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCN.[Br-] IC50 = 850000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BK2WI3 alpha,alpha-Diphenyl-3-quinuclidinemethanol hydrobromide Investigative 3044806 C20H24BrNO 374.3 C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Br IC50 = 1104000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BM6Q1Z Diphenidol hydrochloride Investigative 66266 C21H28ClNO 345.9 C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl Ki = 891000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BMIW49 12-[[4-(1-Methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]dodecyl acetate;hydrochloride Investigative 10226456 C22H38ClN3O3S 460.1 CC(=O)OCCCCCCCCCCCCOC1=NSN=C1C2=CCCN(C2)C.Cl EC50 = 25100000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BMT8I2 [1-(5-Phenoxypentyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide Investigative 42626010 C31H38BrNO2 536.5 C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCCCOC5=CC=CC=C5.[Br-] IC50 = 306000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BO9G4H 12-[[4-(1-Methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]dodecan-1-ol;hydrochloride Investigative 9909907 C20H36ClN3O2S 418 CN1CCC=C(C1)C2=NSN=C2OCCCCCCCCCCCCO.Cl EC50 = 100000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BP2VC7 4-[4-(4-Hydroxy-4,4-diphenylbutyl)piperazin-1-yl]-1,1-diphenylbutan-1-ol;dihydrochloride Investigative 49797391 C36H44Cl2N2O2 607.6 C1CN(CCN1CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(C4=CC=CC=C4)(C5=CC=CC=C5)O.Cl.Cl Ki = 11500000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BRC7N9 4-(4-Methylpiperazin-1-yl)-1,1-diphenylbutan-1-ol;dihydrochloride Investigative 49797394 C21H30Cl2N2O 397.4 CN1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl.Cl Ki = 135000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BWV9F3 4-[Hydroxy(diphenyl)methyl]-1-methyl-1-azoniabicyclo[2.2.2]octane bromide Investigative 42625933 C21H26BrNO 388.3 C[N+]12CCC(CC1)(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-] IC50 = 935000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BX84RC 4-(1-Methylpiperidin-1-ium-1-yl)-1,1-diphenylbutan-1-ol;iodide Investigative 44448645 C22H30INO 451.4 C[N+]1(CCCCC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-] Ki = 3630000000000000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BZ0UQ2 1-(Cyclopropylmethyl)-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane Bromide Investigative 42625935 C24H30BrNO 428.4 C1CC1C[N+]23CCC(CC2)(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-] IC50 = 1956000 nM Non binder T67684 Muscarinic acetylcholine receptor M3 BZD1R6 4-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]-1,1-diphenylbutan-1-ol;dihydrochloride Investigative 49797387 C27H40Cl2N2O 479.5 CN1CCC(CC1)C2CCN(CC2)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl.Cl Ki = 191000000000000 nM Non binder