TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T98078 Malonyl-CoA decarboxylase B0IT3W 1,1,1,3,3,3-Hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol Investigative 44407263 C18H13F6N3O2 417.3 C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)O)N2C(=CN=C2C3=CC=NC=C3)CO IC50 = 114000 nM Poor binder T98078 Malonyl-CoA decarboxylase B1P4KA 2-(4-(2-Sec-butyl-5-(1-hydroxyethyl)-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol Investigative 44407231 C18H20F6N2O2 410.4 CCC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(C)O IC50 = 149000 nM Poor binder T98078 Malonyl-CoA decarboxylase B1RP0T 2-(4-(5-((4-(1H-Tetrazol-5-yl)butoxy)methyl)-2-isopropyl-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol Investigative 44407198 C21H24F6N6O2 506.4 CC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)COCCCCC3=NNN=N3 IC50 = 116000 nM Poor binder T98078 Malonyl-CoA decarboxylase B4F0RD 3-(2-Sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1H-imidazol-5-yl)propanoic acid Investigative 44407286 C19H20F6N2O3 438.4 CCC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)CCC(=O)O IC50 = 163000 nM Poor binder T98078 Malonyl-CoA decarboxylase B54NHQ Ethyl 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-(pyridin-4-yl)-1H-imidazole-4-carboxylate Investigative 44407199 C20H15F6N3O3 459.3 CCOC(=O)C1=CN(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O IC50 = 191000 nM Poor binder T98078 Malonyl-CoA decarboxylase B81XCM (E)-Methyl 3-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1H-imidazol-5-yl)acrylate Investigative 44407288 C20H20F6N2O3 450.4 CCC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)/C=C/C(=O)OC IC50 = 88000 nM Poor binder T98078 Malonyl-CoA decarboxylase BF90QP 6-((1-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)methoxy)hexanenitrile Investigative 44407243 C22H25F6N3O2 477.4 CC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)COCCCCCC#N IC50 = 168000 nM Poor binder T98078 Malonyl-CoA decarboxylase BJC3D2 1-(2-Sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1H-imidazol-5-yl)butan-1-ol Investigative 44407162 C20H24F6N2O2 438.4 CCCC(C1=CN=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(C)CC)O IC50 = 74000 nM Poor binder T98078 Malonyl-CoA decarboxylase BL20OW Methyl 3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)propanoate Investigative 44407267 C19H20F6N2O3 438.4 CC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)CCC(=O)OC IC50 = 65000 nM Poor binder T98078 Malonyl-CoA decarboxylase BQ51WR trans-3-(1-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)acrylonitrile Investigative 44407205 C18H15F6N3O 403.3 CC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)/C=C/C#N IC50 = 140000 nM Poor binder T98078 Malonyl-CoA decarboxylase BQX5J7 2-(4-(5-((5-(1H-Tetrazol-5-yl)pentyloxy)methyl)-2-isopropyl-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol Investigative 44445017 C22H26F6N6O2 520.5 CC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)COCCCCCC3=NNN=N3 IC50 = 155000 nM Poor binder T98078 Malonyl-CoA decarboxylase BX01QY 5-((1-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)methoxy)pentanenitrile Investigative 44407241 C21H23F6N3O2 463.4 CC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)COCCCCC#N IC50 = 107000 nM Poor binder T98078 Malonyl-CoA decarboxylase BXE23U 1-(2-Sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1H-imidazol-5-yl)-2-methylpropan-1-ol Investigative 44407163 C20H24F6N2O2 438.4 CCC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(C(C)C)O IC50 = 59000 nM Poor binder T98078 Malonyl-CoA decarboxylase BYS9W1 (E)-Methyl 3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)acrylate Investigative 44407212 C19H18F6N2O3 436.3 CC(C)C1=NC=C(N1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)/C=C/C(=O)OC IC50 = 55000 nM Poor binder