TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T33901 Niemann-Pick C1-like protein 1 B37NRH 4-Fluoro-N-[(2R,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]benzamide Investigative 118729153 C22H16F2N2O3 394.4 C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F)O IC50 = 54000 nM Poor binder T33901 Niemann-Pick C1-like protein 1 B3V6IK Tert-butyl(2-(8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamido)methylcarbamate Investigative 53324638 C32H43N5O5 577.7 CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)C(=O)N(CN3C4=CC=CC=C4)CC(=O)NCNC(=O)OC(C)(C)C IC50 = 59000 nM Poor binder T33901 Niemann-Pick C1-like protein 1 BB9XA5 Benzyl 5-((1H-pyrazole-4-carboxamido)methyl)-2-(4-methylphenethyl)piperidine-1-carboxylate Investigative 44574038 C27H32N4O3 460.6 CC1=CC=C(C=C1)CCC2CCC(CN2C(=O)OCC3=CC=CC=C3)CNC(=O)C4=CNN=C4 IC50 = 81000 nM Poor binder T33901 Niemann-Pick C1-like protein 1 BCK3M2 2-Phenylethyl 1-[(4-tert-butylbenzoyl)sulfamoyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate Investigative 44574016 C32H37N3O5S 575.7 CC(C)(C)C1=CC=C(C=C1)C(=O)NS(=O)(=O)N2CC3(CCN(CC3)C(=O)OCCC4=CC=CC=C4)C5=CC=CC=C52 IC50 = 79000 nM Poor binder T33901 Niemann-Pick C1-like protein 1 BKOD70 N-[(2R,3R)-1-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]-2-phenylacetamide Investigative 118729152 C23H19FN2O3 390.4 C1=CC=C(C=C1)CC(=O)N[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O IC50 = 88000 nM Poor binder T33901 Niemann-Pick C1-like protein 1 BL1HN7 N-[(2R,3R)-1-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]benzamide Investigative 118169537 C22H17FN2O3 376.4 C1=CC=C(C=C1)C(=O)N[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O IC50 = 70000 nM Poor binder