TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T55948 Organic cation transporter 3 D03SKR Clonidine Approved 2803 C9H9Cl2N3 230.09 C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl IC50 = 79300 nM Poor binder T55948 Organic cation transporter 3 D04USC Ergotidine Approved 774 C5H9N3 111.15 C1=C(NC=N1)CCN Ki = 140000 nM Poor binder T55948 Organic cation transporter 3 D07HOB Irinotecan Approved 60838 C33H38N4O6 586.7 CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7 IC50 = 74600 nM Poor binder T55948 Organic cation transporter 3 D0R3JB Mitoxantrone Approved 4212 C22H28N4O6 444.5 C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO IC50 = 60500 nM Poor binder T55948 Organic cation transporter 3 D0T6XX Pantoprazole Approved 4679 C16H15F2N3O4S 383.4 COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC IC50 = 137000 nM Poor binder T55948 Organic cation transporter 3 B5O3JK 1-Phenylguanidine Investigative 16157 C7H9N3 135.17 C1=CC=C(C=C1)N=C(N)N IC50 = 99800 nM Poor binder T55948 Organic cation transporter 3 B6VDN2 Nifekalant Investigative 4486 C19H27N5O5 405.4 CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO IC50 = 146000 nM Poor binder T55948 Organic cation transporter 3 D09HLX MPP+ Investigative 39484 C12H12N+ 170.23 C[N+]1=CC=C(C=C1)C2=CC=CC=C2 Ki = 54000 nM Poor binder