TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T46814 Liver organic anion transporter 1 D00YZD Dolutegravir Approved 54726191 C20H19F2N3O5 419.4 C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O IC50 ~ 100000 nM Poor binder T46814 Liver organic anion transporter 1 D02EYG Linagliptin Approved 10096344 C25H28N8O2 472.5 CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C IC50 ~ 100000 nM Poor binder T46814 Liver organic anion transporter 1 D05VIX Gemfibrozil Approved 3463 C15H22O3 250.33 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O IC50 = 130000 nM Poor binder T46814 Liver organic anion transporter 1 D07VLY Doxorubicin Approved 31703 C27H29NO11 543.5 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O Ki = 150000 nM Poor binder T46814 Liver organic anion transporter 1 D0R0FE Verapamil Approved 2520 C27H38N2O4 454.6 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC Ki = 52000 nM Poor binder T46814 Liver organic anion transporter 1 B25OJN 3-{[(Furan-2-yl)methyl]amino}pyridine-4-carboxylic acid Investigative 81750201 C11H10N2O3 218.21 C1=COC(=C1)CNC2=C(C=CN=C2)C(=O)O IC50 ~ 50000 nM Poor binder T46814 Liver organic anion transporter 1 B4Y5QZ Chembl4288001 Investigative 145990715 C21H19ClO5 386.8 CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OC[C@H]2COC3=C(O2)C=C(C=C3)Cl IC50 ~ 100000 nM Poor binder T46814 Liver organic anion transporter 1 B9UVL8 2-[(2-Furylmethyl)amino]nicotinic acid Investigative 28330466 C11H10N2O3 218.21 C1=CC(=C(N=C1)NCC2=CC=CO2)C(=O)O IC50 ~ 50000 nM Poor binder T46814 Liver organic anion transporter 1 BT3E7X 2-[(3-Methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid Investigative 112726150 C12H12N2O2S 248.3 CC1=C(SC=C1)CNC2=C(C=CC=N2)C(=O)O IC50 ~ 50000 nM Poor binder