TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T21945 Norepinephrine transporter B10UFN 2-(Benzhydrylsulfinylmethyl)-3-chlorothiophene Investigative 137649584 C18H15ClOS2 346.9 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=C(C=CS3)Cl IC50 = 188100 nM Poor binder T21945 Norepinephrine transporter B1INP4 4-(Benzhydrylsulfinylmethyl)-2-bromothiophene Investigative 137649990 C18H15BrOS2 391.3 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=CSC(=C3)Br IC50 = 67200 nM Poor binder T21945 Norepinephrine 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 T21945 Norepinephrine 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 = 144200 nM Poor binder T21945 Norepinephrine transporter B2E5ZF 3-(2-Bromo-9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol Investigative 44405893 C21H22BrNO 384.3 CN1C2CCC1CC(C2)(C3C4=CC=CC=C4C5=C3C=C(C=C5)Br)O IC50 = 62600 nM Poor binder T21945 Norepinephrine 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 T21945 Norepinephrine 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 = 152500 nM Poor binder T21945 Norepinephrine 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 T21945 Norepinephrine 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 T21945 Norepinephrine transporter B3ZN2B N-Cyclobutyl-2-(3,4-dichlorophenyl)cyclopent-1-enecarboxamide Investigative 44443878 C16H17Cl2NO 310.2 C1CC(C1)NC(=O)C2=C(CCC2)C3=CC(=C(C=C3)Cl)Cl Ki = 50000 nM Poor binder T21945 Norepinephrine transporter B47JCP N-Methyl-2-piperidin-1-yl-N-{2-[4-(trifluoromethoxy)phenyl]-ethyl}ethanamine Investigative 24863962 C17H25F3N2O 330.4 CN(CCC1=CC=C(C=C1)OC(F)(F)F)CCN2CCCCC2 Ki ~ 100000 nM Poor binder T21945 Norepinephrine 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 = 97100 nM Poor binder T21945 Norepinephrine transporter B5D2PQ O-Methylcorypalline Investigative 27694 C12H17NO2 207.27 CN1CCC2=CC(=C(C=C2C1)OC)OC Ki = 128900 nM Poor binder T21945 Norepinephrine 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 ~ 100000 nM Poor binder T21945 Norepinephrine 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 T21945 Norepinephrine 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 T21945 Norepinephrine transporter B6NM8T 3-(9H-Fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol Investigative 12646716 C21H23NO 305.4 CN1C2CCC1CC(C2)(C3C4=CC=CC=C4C5=CC=CC=C35)O IC50 = 158000 nM Poor binder T21945 Norepinephrine transporter B78YXV 3-Biphenyl-2-yl-8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol Investigative 44405897 C20H23NO 293.4 CN1C2CCC1CC(C2)(C3=CC=CC=C3C4=CC=CC=C4)O IC50 = 66300 nM Poor binder T21945 Norepinephrine transporter B7FA5K Cyclohexyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate Investigative 44443892 C18H20Cl2O2 339.3 C1CCC(CC1)OC(=O)C2=C(CCC2)C3=CC(=C(C=C3)Cl)Cl Ki = 130000 nM Poor binder T21945 Norepinephrine transporter B7ICB5 N-Ethyl-2-piperidin-1-yl-N-{2-[4-(trifluoromethoxy)phenyl]-ethyl}ethanamine Investigative 24878951 C18H27F3N2O 344.4 CCN(CCC1=CC=C(C=C1)OC(F)(F)F)CCN2CCCCC2 Ki ~ 100000 nM Poor binder T21945 Norepinephrine transporter B9JR4F Methyl 2-(3-chlorophenyl)cyclohept-1-enecarboxylate Investigative 44429221 C15H17ClO2 264.74 COC(=O)C1=C(CCCCC1)C2=CC(=CC=C2)Cl Ki = 85000 nM Poor binder T21945 Norepinephrine transporter B9ZWL4 Methyl 2-(4-chlorophenyl)cyclopent-1-enecarboxylate Investigative 44429190 C13H13ClO2 236.69 COC(=O)C1=C(CCC1)C2=CC=C(C=C2)Cl Ki = 178000 nM Poor binder T21945 Norepinephrine transporter BA0Y6B [5-(5-Fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine Investigative 11492305 C12H16FNO2 225.26 COC1=C(C=C(C=C1)F)C2CCC(O2)CN Ki = 57020 nM Poor binder T21945 Norepinephrine transporter BB54SJ Methyl 2-(4-chlorophenyl)cyclohept-1-enecarboxylate Investigative 44429219 C15H17ClO2 264.74 COC(=O)C1=C(CCCCC1)C2=CC=C(C=C2)Cl Ki = 84000 nM Poor binder T21945 Norepinephrine transporter BBS6U9 2,2,2-Trifluoroethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate Investigative 44443896 C14H11Cl2F3O2 339.1 C1CC(=C(C1)C(=O)OCC(F)(F)F)C2=CC(=C(C=C2)Cl)Cl Ki = 170000 nM Poor binder T21945 Norepinephrine transporter BCMN45 Methyl 2-(4-nitrophenyl)cyclopent-1-enecarboxylate Investigative 44429199 C13H13NO4 247.25 COC(=O)C1=C(CCC1)C2=CC=C(C=C2)[N+](=O)[O-] Ki = 111000 nM Poor binder T21945 Norepinephrine transporter BDF02K (cis)-4-(3,4-Dimethoxyphenyl)-2-(5-((S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propylamino)pentyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one Investigative 46227269 C38H43N3O4S 637.8 COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)CCCCCNCC[C@@H](C4=CC=CS4)OC5=CC=CC6=CC=CC=C65)OC Ki ~ 100000 nM Poor binder T21945 Norepinephrine transporter BE7LO2 N-(4-(Trifluoromethoxy)phenethyl)-N-methyl-2-(pyrrolidin-1-yl)ethanamine Investigative 24863961 C16H23F3N2O 316.36 CN(CCC1=CC=C(C=C1)OC(F)(F)F)CCN2CCCC2 Ki ~ 100000 nM Poor binder T21945 Norepinephrine 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 T21945 Norepinephrine transporter BGK5P8 3-(Benzhydrylsulfinylmethyl)thiophene Investigative 137633241 C18H16OS2 312.5 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=CSC=C3 IC50 = 57600 nM Poor binder T21945 Norepinephrine 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 = 51000 nM Poor binder T21945 Norepinephrine transporter BIW4Z7 m-Tolyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate Investigative 23661687 C19H16Cl2O2 347.2 CC1=CC(=CC=C1)OC(=O)C2=C(CCC2)C3=CC(=C(C=C3)Cl)Cl Ki ~ 100000 nM Poor binder T21945 Norepinephrine 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 = 112600 nM Poor binder T21945 Norepinephrine transporter BJM49K 5-(Benzhydrylsulfinylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole Investigative 137657462 C17H13F3N2O2S 366.4 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=NC(=NO3)C(F)(F)F IC50 = 71000 nM Poor binder T21945 Norepinephrine transporter BK1YA0 (1S,5R)-N-[Bis(4-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine Investigative 76309752 C21H24F2N2 342.4 CN1[C@@H]2CC[C@H]1CC(C2)NC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F Ki = 152000 nM Poor binder T21945 Norepinephrine 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 Ki ~ 100000 nM Poor binder T21945 Norepinephrine transporter BL6A8G Methyl 2-(4-tert-butylphenyl)cyclohept-1-enecarboxylate Investigative 44429402 C19H26O2 286.4 CC(C)(C)C1=CC=C(C=C1)C2=C(CCCCC2)C(=O)OC Ki = 62000 nM Poor binder T21945 Norepinephrine transporter BMJA03 Phenyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate Investigative 44443897 C18H14Cl2O2 333.2 C1CC(=C(C1)C(=O)OC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl Ki = 85000 nM Poor binder T21945 Norepinephrine transporter BMK53S 3-(9H-Fluoren-9-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene Investigative 44405845 C21H21N 287.4 CN1C2CCC1C=C(C2)C3C4=CC=CC=C4C5=CC=CC=C35 IC50 = 82700 nM Poor binder T21945 Norepinephrine transporter BPNJ26 Methyl 2-(4-tert-butylphenyl)cycloheptanecarboxylate Investigative 44429401 C19H28O2 288.4 CC(C)(C)C1=CC=C(C=C1)[C@H]2CCCCC[C@H]2C(=O)OC Ki = 94000 nM Poor binder T21945 Norepinephrine transporter BQH62U [(2R,5R)-5-(5-Fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine Investigative 44590643 C12H16FNO2 225.26 COC1=C(C=C(C=C1)F)[C@H]2CC[C@@H](O2)CN Ki = 71990 nM Poor binder T21945 Norepinephrine 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 = 81000 nM Poor binder T21945 Norepinephrine 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 IC50 ~ 100000 nM Poor binder T21945 Norepinephrine transporter BU4O6T 5-(Benzhydrylsulfinylmethyl)-3H-1,3,4-thiadiazol-2-one Investigative 137631557 C16H14N2O2S2 330.4 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=NNC(=O)S3 IC50 = 85700 nM Poor binder T21945 Norepinephrine transporter BU6K1H N-Ethyl-2-pyrrolidin-1-yl-N-{2-[4-(trifluoromethoxy)phenyl]-ethyl}ethanamine Investigative 24879005 C17H25F3N2O 330.4 CCN(CCC1=CC=C(C=C1)OC(F)(F)F)CCN2CCCC2 Ki ~ 100000 nM Poor binder T21945 Norepinephrine 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 = 58100 nM Poor binder T21945 Norepinephrine transporter BV5C3X Methyl 2-(3-nitrophenyl)cyclohexene-1-carboxylate Investigative 44429214 C14H15NO4 261.269 COC(=O)C1=C(CCCC1)C2=CC(=CC=C2)[N+](=O)[O-] Ki = 121000 nM Poor binder T21945 Norepinephrine transporter BV98NH N,N-Dimethyl(2-(naphthalen-1-yl)cyclopropyl)methanamine Investigative 44444517 C16H19N 225.33 CN(C)CC1CC1C2=CC=CC3=CC=CC=C32 IC50 = 68000 nM Poor binder T21945 Norepinephrine 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 = 68400 nM Poor binder T21945 Norepinephrine transporter BW5OB6 Furan-2-ylmethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate Investigative 44443900 C17H14Cl2O3 337.2 C1CC(=C(C1)C(=O)OCC2=CC=CO2)C3=CC(=C(C=C3)Cl)Cl Ki = 61000 nM Poor binder T21945 Norepinephrine transporter BWKI18 3-(2-((Dimethylamino)methyl)cyclopropyl)-1H-indazole-5-carbonitrile Investigative 9834659 C14H16N4 240.3 CN(C)CC1CC1C2=C3C=C(C=CC3=NN2)C#N IC50 ~ 100000 nM Poor binder T21945 Norepinephrine 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 T21945 Norepinephrine transporter BY0ZG5 5-(Benzhydrylsulfinylmethyl)-2-methoxy-2,3-dihydro-1,3,4-thiadiazole Investigative 137646374 C17H18N2O2S2 346.5 COC1NN=C(S1)CS(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 IC50 = 145800 nM Poor binder T21945 Norepinephrine transporter BZ6C4F 3-alpha-(4-Methylphenyl)-2-beta-(3,4-dimethoxyphenyl)tropane Investigative 44421485 C23H29NO2 351.5 CC1=CC=C(C=C1)[C@@H]2CC3CCC([C@H]2C4=CC(=C(C=C4)OC)OC)N3C IC50 = 78000 nM Poor binder T21945 Norepinephrine transporter BZ9S7Y Methyl 2-(naphthalen-2-yl)cyclohept-1-enecarboxylate Investigative 44429222 C19H20O2 280.4 COC(=O)C1=C(CCCCC1)C2=CC3=CC=CC=C3C=C2 Ki = 68000 nM Poor binder T21945 Norepinephrine transporter D0FS4V Bip-tyr-thr-pro-thr(obzl)-gly Investigative 44413375 C50H61N7O12 952.1 C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCC2=CC=CC=C2)C(=O)NCC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C4=CC=C(C=C4)C5=CC=C(C=C5)C[C@@H](C(=O)O)N)N)O IC50 = 90000 nM Poor binder