TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T52297 Oxysterols receptor LXR-alpha D0S5LT Deoxynojirimycin Phase 3 29435 C6H13NO4 163.17 C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O IC50 ~ 100000 nM Poor binder T52297 Oxysterols receptor LXR-alpha D0R9YR BETULINIC ACID Phase 1 64971 C30H48O3 456.7 CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O EC50 ~ 50000 nM Poor binder T52297 Oxysterols receptor LXR-alpha B1V8RY (1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid allyl ester Investigative 44403619 C20H26O3 314.4 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)OCC=C EC50 ~ 50000 nM Poor binder T52297 Oxysterols receptor LXR-alpha B34ERS N-[(4-Chlorophenyl)methyl]-N-[(5-nitrothiophen-2-yl)methyl]-1-phenylmethanamine Investigative 50916706 C19H17ClN2O2S 372.9 C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T52297 Oxysterols receptor LXR-alpha B6Q3IS 5-[[(4-Methoxyphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]thiophene-2-carbonitrile Investigative 71682939 C20H19N3OS 349.5 COC1=CC=C(C=C1)CN(CC2=CN=CC=C2)CC3=CC=C(S3)C#N IC50 ~ 100000 nM Poor binder T52297 Oxysterols receptor LXR-alpha B9GQ7I 2-(2-(Ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylethoxy)acetic acid Investigative 44416861 C21H21F6NO4 465.4 CCN(C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O)C(COCC(=O)O)C2=CC=CC=C2 IC50 = 61000 nM Poor binder T52297 Oxysterols receptor LXR-alpha B9IE7C 3-Benzyl-8-chloro-4-{3-[(2-chlorobenzyl)oxy]phenyl}cinnoline Investigative 11854316 C28H20Cl2N2O 471.4 C1=CC=C(C=C1)CC2=NN=C3C(=C2C4=CC(=CC=C4)OCC5=CC=CC=C5Cl)C=CC=C3Cl IC50 = 92000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BA3HE1 [3-(8-Chloro-3-phenylcinnolin-4-yl)phenyl][(1-methyl-1H-indol-7-yl)methyl]amine Investigative 11855081 C30H23ClN4 475 CN1C=CC2=C1C(=CC=C2)CNC3=CC=CC(=C3)C4=C5C=CC=C(C5=NN=C4C6=CC=CC=C6)Cl IC50 = 62000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BBV07Q 3-Benzyl-4-[3-(benzyloxy)phenyl]-8-chlorocinnoline Investigative 11854573 C28H21ClN2O 436.9 C1=CC=C(C=C1)CC2=NN=C3C(=C2C4=CC(=CC=C4)OCC5=CC=CC=C5)C=CC=C3Cl IC50 = 180000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BC5QP7 1-(4-Chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine Investigative 71682936 C17H17ClN4 312.8 C1=CC(=CN=C1)CN(CC2=CC=C(C=C2)Cl)CC3=NC=CN3 IC50 ~ 100000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BCKD48 Ethyl 2,4,6-Trihydroxybenzoate Investigative 54344821 C9H10O5 198.17 CCOC(=O)C1=C(C=C(C=C1O)O)O EC50 = 80760 nM Poor binder T52297 Oxysterols receptor LXR-alpha BDKO32 [3-(8-Chloro-3-phenylcinnolin-4-yl)phenyl][2-chloro-3-(trifluoromethyl)benzyl]amine Investigative 11855894 C28H18Cl2F3N3 524.4 C1=CC=C(C=C1)C2=NN=C3C(=C2C4=CC(=CC=C4)NCC5=C(C(=CC=C5)C(F)(F)F)Cl)C=CC=C3Cl IC50 = 179000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BFE39Y 4-(N-(3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)phenyl)-N-methylsulfamoyl)benzoic acid Investigative 44573717 C18H16ClF3N2O6S 480.8 CC(C(=O)NC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)Cl)(C(F)(F)F)O EC50 ~ 100000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BFE6Q0 (1R,4Ar,7S,8aS,10aS)-N-(1-adamantylmethyl)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxamide Investigative 44559244 C31H47NO 449.7 C[C@@]12CCC[C@@]([C@H]1CC[C@@H]3C2=CC[C@](C3)(C)C=C)(C)C(=O)NCC45CC6CC(C4)CC(C6)C5 EC50 ~ 50000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BFG3A0 (1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid but-3-enyl ester Investigative 44403620 C21H28O3 328.4 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)OCCC=C EC50 ~ 50000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BIN05R Tetrahydro-carbazole, (+/-)13 Investigative 25218830 C22H20Cl3NO4S 500.8 C[C@]([C@@H]1CCC2=C(C1)NC3=C2C=C(C=C3)Cl)(C(=O)OC)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl IC50 = 87900 nM Poor binder T52297 Oxysterols receptor LXR-alpha BJBC94 {3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(1H-Indol-7-ylmethyl)Amine Investigative 45271480 C32H24F3N3 507.5 C1=CC=C(C=C1)CC2=CN=C3C(=C2C4=CC(=CC=C4)NCC5=CC=CC6=C5NC=C6)C=CC=C3C(F)(F)F IC50 = 134000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BJR4A1 N-[4-[Benzyl-(2-chlorophenyl)sulfonylamino]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide Investigative 44573634 C23H19Cl2F3N2O4S 547.4 CC(C(=O)NC1=C(C=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3Cl)Cl)(C(F)(F)F)O EC50 ~ 100000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BK0O9S Podocarpic acid Investigative 93017 C17H22O3 274.35 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)O EC50 ~ 50000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BK2W8Y 3-Benzyl-8-chloro-4-[3-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]phenyl]cinnoline Investigative 11857210 C29H19Cl2F3N2O 539.4 C1=CC=C(C=C1)CC2=NN=C3C(=C2C4=CC(=CC=C4)OCC5=C(C=CC(=C5)C(F)(F)F)Cl)C=CC=C3Cl IC50 = 147000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BOM56K (1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid pent-4-enyl ester Investigative 44403625 C22H30O3 342.5 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)OCCCC=C EC50 ~ 50000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BOT18U N-[(4-Chloro-2-methylphenyl)methyl]-1-(4-chlorophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine Investigative 71682479 C20H18Cl2N2O2S 421.3 CC1=C(C=CC(=C1)Cl)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-] IC50 = 63000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BQI50L 2-(4-(3-(3-Benzyl-8-(trifluoromethyl)quinolin-4-yl)benzylamino)-2,3-dimethylphenyl)acetic acid Investigative 25226691 C34H29F3N2O2 554.6 CC1=C(C=CC(=C1C)NCC2=CC(=CC=C2)C3=C4C=CC=C(C4=NC=C3CC5=CC=CC=C5)C(F)(F)F)CC(=O)O IC50 = 58000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BRC37D 1-(4-Chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine Investigative 71682791 C17H16ClN3S 329.8 C1=CC(=CN=C1)CN(CC2=CC=C(C=C2)Cl)CC3=NC=CS3 IC50 = 50000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BUHR84 Rosacea acid B Investigative 44559230 C30H48O3 456.7 C[C@H](CC/C=C(\\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CC=C4[C@H]3CC[C@H](C4(C)C)O)C)C)C EC50 ~ 50000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BUN7K8 3-Benzyl-8-chloro-4-(3-{[3-(trifluoromethyl)benzyl]oxy}phenyl)cinnoline Investigative 11854315 C29H20ClF3N2O 504.9 C1=CC=C(C=C1)CC2=NN=C3C(=C2C4=CC(=CC=C4)OCC5=CC(=CC=C5)C(F)(F)F)C=CC=C3Cl IC50 = 62000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BV2B1J 3-(4-(N-(3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)phenyl)-N-methylsulfamoyl)phenyl)propanoic acid Investigative 44573719 C20H20ClF3N2O6S 508.9 CC(C(=O)NC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)Cl)(C(F)(F)F)O EC50 ~ 100000 nM Poor binder T52297 Oxysterols receptor LXR-alpha BYQO83 1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-yl)-propane-1,3-dione Investigative 44403589 C29H38O2 418.6 C[C@]12CCC[C@]([C@@H]1CCC3=CC=CC=C23)(C)C(=O)CC(=O)C45CC6CC(C4)CC(C6)C5 EC50 ~ 50000 nM Poor binder