TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T46360 Opioid receptor sigma 1 D0WE3O Morphine Approved 5288826 C17H19NO3 285.34 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O Ki ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 B01URL N-Cyclohexyl-2-(4-propanoylpiperazin-1-yl)acetamide Investigative 49853778 C15H27N3O2 281.39 CCC(=O)N1CCN(CC1)CC(=O)NC2CCCCC2 IC50 ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 B2BX9N Jervine Investigative 10098 C27H39NO3 425.6 C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)NC1 Ki ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 B3XVJ0 N,N'-Dimethyl guanidine hydrogen bromide Investigative 14122788 C3H10BrN3 168.04 CNC(=NC)N.Br IC50 ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 B4BM5X N-Pentan-3-yl-2-(4-propanoylpiperazin-1-yl)acetamide Investigative 49853777 C14H27N3O2 269.38 CCC(CC)NC(=O)CN1CCN(CC1)C(=O)CC IC50 ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 B54CBM N-Cyclopentyl-N-methyl-2-(piperazin-1-yl)acetamide Investigative 43267406 C12H23N3O 225.33 CN(C1CCCC1)C(=O)CN2CCNCC2 IC50 ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 B5IF1U N-[(1S,2S,4R)-2-Bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide Investigative 73353481 C13H23N3O 237.34 C1C[C@H]2C[C@@H]1C[C@@H]2NC(=O)CN3CCNCC3 IC50 = 86800 nM Poor binder T46360 Opioid receptor sigma 1 B7FI1S n,n-Diphenylguanidine Investigative 14657 C13H13N3 211.26 C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=N)N IC50 ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 BB9XG1 (3S,3'R,3'As,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',7'a,10,11b-pentamethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,4,5,6,7-hexahydrofuro[3,2-b]pyridine]-3-ol Investigative 44398137 C28H43NO2 425.6 C[C@H]1C[C@@]2([C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1)C Ki ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 BB9YX3 N-Isopropyl-1-piperazineacetamide Investigative 100826 C9H19N3O 185.27 CC(C)NC(=O)CN1CCNCC1 IC50 ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 BH42YB N-(2-Methylbutyl)-2-(4-propanoylpiperazin-1-yl)acetamide Investigative 49853580 C14H27N3O2 269.38 CCC(C)CNC(=O)CN1CCN(CC1)C(=O)CC IC50 ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 BV1AL0 N-Cyclopentyl-2-(4-propanoylpiperazin-1-yl)propanamide Investigative 49853981 C15H27N3O2 281.39 CCC(=O)N1CCN(CC1)C(C)C(=O)NC2CCCC2 IC50 ~ 100000 nM Poor binder T46360 Opioid receptor sigma 1 D0RN5A [3H]naloxone Investigative 5284596 C19H21NO4 327.4 C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O Ki ~ 100000 nM Poor binder