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 D07HQC Modafinil Approved 4236 C15H15NO2S 273.4 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N IC50 = 283600 nM Non binder T21945 Norepinephrine transporter D0R6LF Citalopram derivative 1 Patented 2771 C20H21FN2O 324.4 CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F Ki > 1000000 nM Non binder T21945 Norepinephrine transporter B09TKB Methyl 2-(4-tert-butylphenyl)cyclohex-1-enecarboxylate Investigative 44429205 C18H24O2 272.4 CC(C)(C)C1=CC=C(C=C1)C2=C(CCCC2)C(=O)OC Ki = 1100000 nM Non binder T21945 Norepinephrine transporter B0GBP4 2-(Benzhydrylsulfinylmethyl)-4-methoxy-6-methylpyrimidine Investigative 137640164 C20H20N2O2S 352.5 CC1=CC(=NC(=N1)CS(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC IC50 = 227500 nM Non binder T21945 Norepinephrine transporter B0KCD3 (2-(3,4-Dichlorophenyl)cyclopent-1-enyl)(morpholino)methanone Investigative 44443873 C16H17Cl2NO2 326.2 C1CC(=C(C1)C(=O)N2CCOCC2)C3=CC(=C(C=C3)Cl)Cl Ki = 300000 nM Non binder T21945 Norepinephrine transporter B0L1TW Methyl 2-(3-chlorophenyl)cyclohex-1-enecarboxylate Investigative 44429202 C14H15ClO2 250.72 COC(=O)C1=C(CCCC1)C2=CC(=CC=C2)Cl Ki = 339000 nM Non binder T21945 Norepinephrine transporter B1VG9T (2S,3S,4S,5R,6S)-6-[1-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Investigative 70681491 C30H35NO15S 681.7 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Ki > 10000000 nM Non binder T21945 Norepinephrine transporter B2L4GB (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid Investigative 70683608 C25H29NO9S 519.6 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC Ki > 10000000 nM Non binder T21945 Norepinephrine transporter B2MFZ7 Methyl 2-(4-(trifluoromethoxy)phenyl)cyclohexanecarboxylate Investigative 44429395 C15H17F3O3 302.29 COC(=O)[C@@H]1CCCC[C@@H]1C2=CC=C(C=C2)OC(F)(F)F Ki = 719000 nM Non binder T21945 Norepinephrine transporter B3NIT7 Methyl 2-(4-hydroxyphenyl)cyclohex-1-enecarboxylate Investigative 44429212 C14H16O3 232.27 COC(=O)C1=C(CCCC1)C2=CC=C(C=C2)O Ki = 499000 nM Non binder T21945 Norepinephrine transporter B4QM5H Methyl 2-(3-(trifluoromethyl)phenyl)cyclohex-1-enecarboxylate Investigative 44429209 C15H15F3O2 284.27 COC(=O)C1=C(CCCC1)C2=CC(=CC=C2)C(F)(F)F Ki = 2110000 nM Non binder T21945 Norepinephrine transporter B5VWF6 Methyl 2-(4-chlorophenyl)cyclohex-1-enecarboxylate Investigative 44429201 C14H15ClO2 250.72 COC(=O)C1=C(CCCC1)C2=CC=C(C=C2)Cl Ki = 314000 nM Non binder T21945 Norepinephrine transporter B7RFB6 4-Hydroxy Duloxetine b-D-Glucuronide Investigative 29981513 C24H27NO8S 489.5 CNCC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Ki > 10000000 nM Non binder T21945 Norepinephrine transporter B87XMC Methyl 2-(biphenyl-4-yl)cyclohex-1-enecarboxylate Investigative 44429204 C20H20O2 292.4 COC(=O)C1=C(CCCC1)C2=CC=C(C=C2)C3=CC=CC=C3 Ki = 215000 nM Non binder T21945 Norepinephrine transporter B94ZVL Methyl 2-(3-aminophenyl)cyclopent-1-enecarboxylate Investigative 44429198 C13H15NO2 217.26 COC(=O)C1=C(CCC1)C2=CC(=CC=C2)N Ki = 247000 nM Non binder T21945 Norepinephrine transporter B9RYC1 Methyl 2-(4-acetylphenyl)cyclopent-1-enecarboxylate Investigative 44429197 C15H16O3 244.28 CC(=O)C1=CC=C(C=C1)C2=C(CCC2)C(=O)OC Ki = 240000 nM Non binder T21945 Norepinephrine transporter BB6E4L Methyl 2-(3-(trifluoromethyl)phenyl)cyclohexanecarboxylate Investigative 44429397 C15H17F3O2 286.29 COC(=O)[C@@H]1CCCC[C@@H]1C2=CC(=CC=C2)C(F)(F)F Ki = 991000 nM Non binder T21945 Norepinephrine transporter BC36LD Methyl 2-(4-(trifluoromethoxy)phenyl)cyclohex-1-enecarboxylate Investigative 44429206 C15H15F3O3 300.27 COC(=O)C1=C(CCCC1)C2=CC=C(C=C2)OC(F)(F)F Ki = 2540000 nM Non binder T21945 Norepinephrine transporter BD0OG2 Methyl 2-phenylcyclohexene-1-carboxylate Investigative 44429207 C14H16O2 216.27 COC(=O)C1=C(CCCC1)C2=CC=CC=C2 Ki = 2500000 nM Non binder T21945 Norepinephrine transporter BE04LO Methyl 2-(4-tert-butylphenyl)cyclopent-1-enecarboxylate Investigative 44429194 C17H22O2 258.35 CC(C)(C)C1=CC=C(C=C1)C2=C(CCC2)C(=O)OC Ki = 789000 nM Non binder T21945 Norepinephrine transporter BFJ39T (RR/SS)-2-[1-(4-chlorophenyl)-2-methylpropyl]piperidine Investigative 16102752 C15H22ClN 251.79 CC(C)C(C1CCCCN1)C2=CC=C(C=C2)Cl Ki > 10000000 nM Non binder T21945 Norepinephrine transporter BFZ45K Sodium 2-methoxy-5-[(1S)-3-(methylamino)-1-(thiophen-2-yl)propoxy]naphthalen-1-yl sulfate Investigative 44344091 C19H20NNaO6S2 445.5 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3OS(=O)(=O)[O-])OC.[Na+] Ki > 10000000 nM Non binder T21945 Norepinephrine transporter BG1S6H Ethyl (1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate Investigative 137653998 C21H20ClN5O4S 473.9 CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)C#CC5=CC=C(S5)Cl)NC EC50 > 8400000 nM Non binder T21945 Norepinephrine transporter BGI86B Methyl 2-(4-(trifluoromethoxy)phenyl)cyclopent-1-enecarboxylate Investigative 44429195 C14H13F3O3 286.25 COC(=O)C1=C(CCC1)C2=CC=C(C=C2)OC(F)(F)F Ki = 2884000 nM Non binder T21945 Norepinephrine transporter BKY43I 5-Hydroxy-6-methoxy Duloxetine Investigative 29981679 C19H21NO3S 343.4 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3O)OC Ki = 920000 nM Non binder T21945 Norepinephrine transporter BL7JV0 Methyl 2-phenylcyclohexanecarboxylate Investigative 44429396 C14H18O2 218.29 COC(=O)[C@@H]1CCCC[C@@H]1C2=CC=CC=C2 Ki = 1360000 nM Non binder T21945 Norepinephrine transporter BLYC86 Methyl 2-(3-chlorophenyl)cyclopent-1-enecarboxylate Investigative 44429191 C13H13ClO2 236.69 COC(=O)C1=C(CCC1)C2=CC(=CC=C2)Cl Ki = 285000 nM Non binder T21945 Norepinephrine transporter BO3D5E 4-(Benzhydrylsulfinylmethyl)-2,6-dimethylpyrimidine Investigative 137658186 C20H20N2OS 336.5 CC1=CC(=NC(=N1)C)CS(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 IC50 = 767500 nM Non binder T21945 Norepinephrine transporter BP0RB5 1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-propoxy)-naphthalen-2-ol Investigative 44344218 C19H21NO3S 343.4 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3OC)O Ki = 235500 nM Non binder T21945 Norepinephrine transporter BQX4B9 Methyl 2-(biphenyl-4-yl)cyclohexanecarboxylate Investigative 44429392 C20H22O2 294.4 COC(=O)[C@@H]1CCCC[C@@H]1C2=CC=C(C=C2)C3=CC=CC=C3 Ki = 658000 nM Non binder T21945 Norepinephrine transporter BR53YM (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-yl]oxyoxane-2-carboxylic acid Investigative 70685727 C24H27NO8S 489.5 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O Ki = 5454000 nM Non binder T21945 Norepinephrine transporter BS8XE2 (2-(3,4-Dichlorophenyl)cyclopent-1-enyl)(pyrrolidin-1-yl)methanone Investigative 44443875 C16H17Cl2NO 310.2 C1CCN(C1)C(=O)C2=C(CCC2)C3=CC(=C(C=C3)Cl)Cl Ki = 410000 nM Non binder T21945 Norepinephrine transporter BV78RM 2-(3,4-Dichlorophenyl)-N-methoxy-N-methylcyclopent-1-enecarboxamide Investigative 44443888 C14H15Cl2NO2 300.2 CN(C(=O)C1=C(CCC1)C2=CC(=C(C=C2)Cl)Cl)OC Ki = 250000 nM Non binder T21945 Norepinephrine transporter BVBS46 Methyl 2-(4-tert-butylphenyl)cyclohexanecarboxylate Investigative 44429393 C18H26O2 274.4 CC(C)(C)C1=CC=C(C=C1)[C@H]2CCCC[C@H]2C(=O)OC Ki = 675000 nM Non binder T21945 Norepinephrine transporter BVJ7L3 Methyl 2-(4-methoxyphenyl)cyclopent-1-enecarboxylate Investigative 44429193 C14H16O3 232.27 COC1=CC=C(C=C1)C2=C(CCC2)C(=O)OC Ki = 550000 nM Non binder T21945 Norepinephrine 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 = 554000 nM Non binder T21945 Norepinephrine 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 = 439000 nM Non binder T21945 Norepinephrine transporter BX5BZ6 1,2-Dichloro-4-(2-(prop-1-enyl)cyclohex-1-enyl)benzene Investigative 44429227 C15H16Cl2 267.2 C/C=C/C1=C(CCCC1)C2=CC(=C(C=C2)Cl)Cl Ki = 255000 nM Non binder T21945 Norepinephrine transporter BX9E3U 2-(3,4-Dichlorophenyl)-N,N-diethylcyclopent-1-enecarboxamide Investigative 44443877 C16H19Cl2NO 312.2 CCN(CC)C(=O)C1=C(CCC1)C2=CC(=C(C=C2)Cl)Cl Ki = 210000 nM Non binder T21945 Norepinephrine transporter BXMW81 Methyl 2-(4-(trifluoromethyl)phenyl)cyclohex-1-enecarboxylate Investigative 44429210 C15H15F3O2 284.27 COC(=O)C1=C(CCCC1)C2=CC=C(C=C2)C(F)(F)F Ki = 2020000 nM Non binder T21945 Norepinephrine transporter D00NEE Bip-tyr-thr-pro-lys-thr Investigative 44413628 C46H62N8O12 919 C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=C(C=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N)O IC50 > 1000000 nM Non binder T21945 Norepinephrine transporter D0NC3P (-)-cubebin Investigative 117443 C20H20O6 356.4 C1[C@@H]([C@H]([C@H](O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 IC50 > 200000 nM Non binder