TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T27812 Serotonin transporter D02PPN Methylphenidate Approved 4158 C14H19NO2 233.31 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 Ki = 65000 nM Poor binder T27812 Serotonin transporter B09YKM (2S,3S)-2-Biphenyl-4-yl-3,5,5-trimethylmorpholin-2-ol Investigative 46837783 C19H23NO2 297.4 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC=C(C=C2)C3=CC=CC=C3)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B0ON2P Radafaxine Investigative 9795056 C13H18ClNO2 255.74 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B0RNS4 (2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837648 C13H18FNO2 239.29 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)F)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B1U9RG (2S,3S)-2-(4-Fluorophenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837653 C13H18FNO2 239.29 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC=C(C=C2)F)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B26CVM 4-Methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide Investigative 743974 C16H19NO3S 305.4 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B29NIY 3-(Benzhydrylsulfinylmethyl)-2-bromothiophene Investigative 137643954 C18H15BrOS2 391.3 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=C(SC=C3)Br IC50 = 59600 nM Poor binder T27812 Serotonin transporter B2F1KT (cis)-2-(5-Bromopentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one Investigative 25258806 C21H27BrN2O3 435.4 COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)CCCCCBr)OC IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B2M0OR 6-Hydroxy-8-methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester Investigative 44322646 C16H19NO3 273.33 CN1C2C[C@@H](C1CC(=C2C(=O)OC)C3=CC=CC=C3)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B2PXF6 2-[[(4-Methylphenyl)-phenylmethyl]sulfinylmethyl]thiophene Investigative 137637663 C19H18OS2 326.5 CC1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=CC=CS3 IC50 = 118400 nM Poor binder T27812 Serotonin transporter B3B8DP N-Ethyl-2-pyrrolidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine Investigative 24878953 C17H25F3N2O 330.4 CCN(CCC1=CC=CC=C1OC(F)(F)F)CCN2CCCC2 Ki ~ 100000 nM Poor binder T27812 Serotonin transporter B3SAG0 (2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837782 C14H21NO3 251.32 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC=C(C=C2)OC)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B4A3JO (2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 9943908 C13H18ClNO2 255.74 C[C@@H]1[C@](OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B4ER7L 4-Hydroxy Duloxetine Investigative 29981497 C18H19NO2S 313.4 CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O Ki = 63900 nM Poor binder T27812 Serotonin transporter B4H0KZ (2S,3S)-2-(3,5-Difluorophenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837785 C13H17F2NO2 257.279 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC(=C2)F)F)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B4P9DQ (2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol Investigative 46837924 C14H20ClNO2 269.77 C[C@H]1[C@@](OCC(N1C)(C)C)(C2=CC(=CC=C2)Cl)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B5EOA1 2-[(1R)-3-Amino-1-(1,2-oxazol-5-yl)propoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile;oxalic acid Investigative 54580936 C15H13F3N4O6 402.28 C1=CC(=NC(=C1C#N)O[C@H](CCN)C2=CC=NO2)C(F)(F)F.C(=O)(C(=O)O)O IC50 = 70000 nM Poor binder T27812 Serotonin transporter B5VDA8 3-(4-Chloro-phenyl)-8-oxa-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester Investigative 23449988 C15H15ClO3 278.73 COC(=O)C1=C(CC2CCC1O2)C3=CC=C(C=C3)Cl IC50 ~ 60000 nM Poor binder T27812 Serotonin transporter B5W6IL Methyl 2-(3,4-dichlorophenyl)cyclohept-1-enecarboxylate Investigative 44429218 C15H16Cl2O2 299.2 COC(=O)C1=C(CCCCC1)C2=CC(=C(C=C2)Cl)Cl Ki = 149000 nM Poor binder T27812 Serotonin transporter B60AOI (cis)-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one Investigative 11044358 C16H18N2O3 286.33 COC1=C(C=C(C=C1)C2=NNC(=O)[C@H]3[C@@H]2CC=CC3)OC IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B6B4DP 2-[2-[2-[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]ethoxy]ethoxy]ethanethiol Investigative 9880323 C16H24N2O3S 324.4 C1=CC2=C(C=C1OCCOCCOCCS)C(=CN2)CCN IC50 = 99000 nM Poor binder T27812 Serotonin transporter B6BP1I (2S,3S)-2-(3-Methoxyphenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837651 C14H21NO3 251.32 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)OC)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter B6H7VW (1R,2S,4R)-1-Aminocyclopentane-1,2,4-tricarboxylic acid Investigative 44437018 C8H11NO6 217.18 C1[C@H](C[C@@]([C@H]1C(=O)O)(C(=O)O)N)C(=O)O Ki ~ 50000 nM Poor binder T27812 Serotonin transporter B6H8MO N-Methyl-2-pyrrolidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine Investigative 24879008 C16H23F3N2O 316.36 CN(CCC1=CC=CC=C1OC(F)(F)F)CCN2CCCC2 Ki ~ 100000 nM Poor binder T27812 Serotonin transporter B6JBG3 3-[3-(4-Fluorophenyl)-1H-benzo[f][2]benzofuran-3-yl]-N,N-dimethylpropan-1-amine Investigative 137636508 C23H24FNO 349.4 CN(C)CCCC1(C2=CC3=CC=CC=C3C=C2CO1)C4=CC=C(C=C4)F EC50 = 95000 nM Poor binder T27812 Serotonin transporter B6PY4Z (1S,2R,4S)-1-Aminocyclopentane-1,2,4-tricarboxylic acid Investigative 24809704 C8H11NO6 217.18 C1[C@@H](C[C@]([C@@H]1C(=O)O)(C(=O)O)N)C(=O)O Ki ~ 50000 nM Poor binder T27812 Serotonin transporter B9PKO5 2-(3,5-Dichlorophenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 49799634 C13H17Cl2NO2 290.18 CC1C(OCC(N1)(C)C)(C2=CC(=CC(=C2)Cl)Cl)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BBJ87T (1S,2S,4R)-1-Aminocyclopentane-1,2,4-tricarboxylic acid Investigative 44437023 C8H11NO6 217.18 C1[C@H](C[C@]([C@H]1C(=O)O)(C(=O)O)N)C(=O)O Ki ~ 50000 nM Poor binder T27812 Serotonin transporter BD8I5B (-)-O-Methylcubebin Investigative 59800034 C21H22O6 370.4 COC1[C@H]([C@@H](CO1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 IC50 = 90300 nM Poor binder T27812 Serotonin transporter BDJ93A (2S,3S)-2-(3-Nitrophenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837652 C13H18N2O4 266.29 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)[N+](=O)[O-])O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter 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 T27812 Serotonin transporter BHEM18 Methyl 2-(biphenyl-4-yl)cycloheptanecarboxylate Investigative 44429400 C21H24O2 308.4 COC(=O)[C@@H]1CCCCC[C@@H]1C2=CC=C(C=C2)C3=CC=CC=C3 Ki = 73000 nM Poor binder T27812 Serotonin transporter BJ31AZ 2-[Bis(4-fluorophenyl)methylsulfinylmethyl]thiophene Investigative 137632704 C18H14F2OS2 348.4 C1=CSC(=C1)CS(=O)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F IC50 = 120500 nM Poor binder T27812 Serotonin transporter BK3MR2 4-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one Investigative 22337182 C16H18N2O3 286.33 COC1=C(C=C(C=C1)C2=NNC(=O)C3C2CC=CC3)OC IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BKX0O6 2-(3,4-Dichlorophenyl)-N-(thiophen-2-ylmethyl)cyclopent-1-enecarboxamide Investigative 44443890 C17H15Cl2NOS 352.3 C1CC(=C(C1)C(=O)NCC2=CC=CS2)C3=CC(=C(C=C3)Cl)Cl Ki = 110000 nM Poor binder T27812 Serotonin transporter BKYN16 1-[3-(Dimethylamino)propyl]-1-naphthalen-2-yl-3H-2-benzofuran-5-carbonitrile Investigative 137639697 C24H24N2O 356.5 CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC4=CC=CC=C4C=C3 EC50 = 55000 nM Poor binder T27812 Serotonin transporter BL34RV (2S,3S)-2-(3,4-Difluorophenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837784 C13H17F2NO2 257.279 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=C(C=C2)F)F)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BL8WP1 1-(4'-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-bromophthalane Investigative 10150457 C19H21BrFNO 378.3 CN(C)CCCC1(C2=C(CO1)C=C(C=C2)Br)C3=CC=C(C=C3)F IC50 = 120000 nM Poor binder T27812 Serotonin transporter BNEF42 Dimethyl phthalate Investigative 8554 C10H10O4 194.18 COC(=O)C1=CC=CC=C1C(=O)OC IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BP5IZ6 N-(4-Methoxyphenethyl)-N-methyl-2-(piperidin-1-yl)ethanamine Investigative 9882069 C17H28N2O 276.4 CN(CCC1=CC=C(C=C1)OC)CCN2CCCCC2 Ki = 52647 nM Poor binder T27812 Serotonin transporter BP6A5U 2-[(1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-5,6-dimethyl-1H-benzimidazole Investigative 49852019 C23H26ClN3 379.9 CC1=CC2=C(C=C1C)N=C(N2)[C@@H]3[C@H]4CC[C@H](N4C)C[C@@H]3C5=CC=C(C=C5)Cl IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BPVR73 (2S,3S)-3,5,5-Trimethyl-2-(4-methylphenyl)morpholin-2-ol Investigative 46837781 C14H21NO2 235.32 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC=C(C=C2)C)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BQ5J8X 2-(Benzhydrylsulfinylmethyl)-4-bromothiophene Investigative 137649677 C18H15BrOS2 391.3 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=CC(=CS3)Br IC50 = 70900 nM Poor binder T27812 Serotonin transporter BQ85RH Methyl biphenyl-2-carboxylate Investigative 9920766 C14H12O2 212.24 COC(=O)C1=CC=CC=C1C2=CC=CC=C2 IC50 ~ 70000 nM Poor binder T27812 Serotonin transporter BQTE70 6-Hydroxy-8-methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester Investigative 44322164 C16H21NO3 275.34 CN1C2C[C@@H](C1CC(C2C(=O)OC)C3=CC=CC=C3)O IC50 = 88000 nM Poor binder T27812 Serotonin transporter BR15OM Methyl 2-(naphthalen-2-yl)cyclohex-1-enecarboxylate Investigative 44429203 C18H18O2 266.3 COC(=O)C1=C(CCCC1)C2=CC3=CC=CC=C3C=C2 Ki = 109000 nM Poor binder T27812 Serotonin transporter BR9X5E 2-Hydroxyethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate Investigative 44443894 C14H14Cl2O3 301.2 C1CC(=C(C1)C(=O)OCCO)C2=CC(=C(C=C2)Cl)Cl Ki = 50000 nM Poor binder T27812 Serotonin transporter BRG56V 7-Hydroxy-8-methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester Investigative 44322076 C16H21NO3 275.34 CN1C2C[C@H](C1C(C(C2)C3=CC=CC=C3)C(=O)OC)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BSTE79 2-N-Methylamino-1-(4-ethylthiophenyl)butane Investigative 44613457 C13H21NS 223.38 CCC(CC1=CC=C(C=C1)SCC)NC EC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BT4A9G 2-(5-Bromo-pentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one Investigative 22337167 C21H27BrN2O3 435.4 COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCBr)OC Ki ~ 100000 nM Poor binder T27812 Serotonin transporter BU8PE0 N-Ethyl-2-piperidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine Investigative 24879001 C18H27F3N2O 344.4 CCN(CCC1=CC=CC=C1OC(F)(F)F)CCN2CCCCC2 Ki ~ 100000 nM Poor binder T27812 Serotonin transporter 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 T27812 Serotonin transporter BVE6T1 3-(4-Fluoro-phenyl)-8-oxa-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester Investigative 23449989 C15H15FO3 262.28 COC(=O)C1=C(CC2CCC1O2)C3=CC=C(C=C3)F IC50 ~ 50000 nM Poor binder T27812 Serotonin transporter BW49RA 2-(Benzhydrylsulfinylmethyl)-5-chlorothiophene Investigative 137656786 C18H15ClOS2 346.9 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=CC=C(S3)Cl IC50 = 57200 nM Poor binder T27812 Serotonin transporter BW4I1B 5-[(1S)-3-(Methylamino)-1-(thiophen-2-yl)propoxy]naphthalene-1,2-diol Investigative 44344115 C18H19NO3S 329.4 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3O)O Ki = 120000 nM Poor binder T27812 Serotonin transporter BWK3E4 Methyl 2-(4-(trifluoromethyl)phenyl)cyclohexanecarboxylate Investigative 44429399 C15H17F3O2 286.29 COC(=O)[C@@H]1CCCC[C@@H]1C2=CC=C(C=C2)C(F)(F)F Ki = 185000 nM Poor binder T27812 Serotonin transporter BWQ23J 3-(4-Chlorophenyl)-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole Investigative 11474847 C24H25ClN2O 392.9 CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C4=CC(=NO4)C5=CC=C(C=C5)Cl)N3C IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BX2C5U (2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837649 C13H18BrNO2 300.19 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)Br)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter BX79MS N-Methyl-2-piperidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine Investigative 24879010 C17H25F3N2O 330.4 CN(CCC1=CC=CC=C1OC(F)(F)F)CCN2CCCCC2 Ki ~ 100000 nM Poor binder T27812 Serotonin transporter D00QCP (2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol Investigative 46837647 C13H19NO2 221.29 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC=CC=C2)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter D03YQY (2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol Investigative 46837650 C14H21NO2 235.32 C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC=CC(=C2)C)O IC50 ~ 100000 nM Poor binder T27812 Serotonin transporter D0X3CF HINOKININ Investigative 442879 C20H18O6 354.4 C1[C@@H]([C@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 IC50 = 175000 nM Poor binder