TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T02591 Human immunodeficiency virus Envelope glycoprotein gp160 B91CQJ N-(4-Chloro-3-fluorophenyl)-N'-{2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethyl}ethanediamide Investigative 53324414 C17H23ClFN3O2 355.8 C[C@@H]1CCC[C@@H](N1CCNC(=O)C(=O)NC2=CC(=C(C=C2)Cl)F)C IC50 = 83200 nM Poor binder T02591 Human immunodeficiency virus Envelope glycoprotein gp160 BCN67S (2S)-2-[[(2S)-2-[(4S,9S)-9-[(1R)-1-Amino-2-hydroxyethyl]-4-(hydroxymethyl)-3,6,10-trioxo-1,2,5-triazecan-2-yl]-3-phenylpropanoyl]amino]-N-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide Investigative 488962 C36H51N7O9 725.8 C[C@H]([C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)[C@@H](NC(=O)CC[C@H](C(=O)N3)[C@H](CO)N)CO)O IC50 ~ 100000 nM Poor binder T02591 Human immunodeficiency virus Envelope glycoprotein gp160 BJ79UN N'-(9-Azaspiro[3.5]nonan-6-yl)-N-(4-chloro-3-fluoro-phenyl)oxamide Investigative 46200686 C16H19ClFN3O2 339.79 C1CC2(C1)CC(CCN2)NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)F IC50 = 86900 nM Poor binder T02591 Human immunodeficiency virus Envelope glycoprotein gp160 BZT7A0 5-[[2-Chloroethyl(ethyl)amino]methyl]-3,3-diphenyl-tetrahydrofuran-2-one Investigative 488950 C21H24ClNO2 357.9 CCN(CCCl)CC1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3 IC50 = 100000 nM Poor binder