TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T44991 Vascular cell adhesion protein 1 D0H2DQ Probucol Approved 4912 C31H48O2S2 516.799 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C IC50 ~ 50000 nM Poor binder T44991 Vascular cell adhesion protein 1 B0FNI5 Hexafluoropentanedioic acid 1-[2,6-di-tert-butyl-4-[1-methyl-1-(3,5-di-tert-butyl-4-hydroxyphenylthio)ethylthio]phenyl] ester Investigative 44319200 C36H48F6O5S2 738.9 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F)C(C)(C)C IC50 = 100000 nM Poor binder T44991 Vascular cell adhesion protein 1 B0SE2P N-(4-Chlorophenyl)-4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide Investigative 9953413 C21H15ClN2OS2 410.9 CC1=CC=C(C=C1)SC2=C3C=C(SC3=CN=C2)C(=O)NC4=CC=C(C=C4)Cl IC50 ~ 100000 nM Poor binder T44991 Vascular cell adhesion protein 1 B30NWJ Probucol Disuccinate Investigative 9961854 C39H56O8S2 717 CC(C)(C)C1=CC(=CC(=C1OC(=O)CCC(=O)O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C IC50 ~ 50000 nM Poor binder T44991 Vascular cell adhesion protein 1 B3MEX5 4-(2-Pyridinylthio)thieno[2,3-c]pyridine-2-carboxamide Investigative 9882382 C13H9N3OS2 287.4 C1=CC=NC(=C1)SC2=C3C=C(SC3=CN=C2)C(=O)N IC50 = 65000 nM Poor binder T44991 Vascular cell adhesion protein 1 B4OYG8 6-Ethylthieno[2,3-d]pyrimidin-4(3H)-one Investigative 645569 C8H8N2OS 180.23 CCC1=CC2=C(S1)N=CNC2=O IC50 ~ 100000 nM Poor binder T44991 Vascular cell adhesion protein 1 BHLK68 5-Hydroxyvaleric acid 2,6-di-tert-butyl-4-[1-methyl-1-(3,5-di-tert-butyl-4-hydroxyphenylthio)ethylthio]phenyl ester Investigative 44319652 C36H56O4S2 617 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCCCO)C(C)(C)C IC50 = 55000 nM Poor binder T44991 Vascular cell adhesion protein 1 BT5K0A Oxalic acid 1-[2,6-di-tert-butyl-4-[1-methyl-1-(3,5-di-tert-butyl-4-hydroxyphenylthio)ethylthio]phenyl] ester Investigative 44319255 C33H48O5S2 588.9 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)C(=O)O)C(C)(C)C IC50 ~ 50000 nM Poor binder T44991 Vascular cell adhesion protein 1 BU69HG 3,3-Dimethyl-4-hydroxybutyric acid 2,6-di-tert-butyl-4-[1-methyl-1-(3,5-di-tert-butyl-4-hydroxyphenylthio)ethylthio]phenyl ester Investigative 44319601 C37H58O4S2 631 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CC(C)(C)CO)C(C)(C)C IC50 = 110000 nM Poor binder T44991 Vascular cell adhesion protein 1 BV2K9A N-Benzyl-6-ethylthieno[2,3-d]pyrimidin-4-amine Investigative 745480 C15H15N3S 269.4 CCC1=CC2=C(N=CN=C2S1)NCC3=CC=CC=C3 IC50 = 59000 nM Poor binder