TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T44282 Mitochondrial aldehyde dehydrogenase B53WVD 1-[(4-Methylpiperazin-1-yl)methyl]indole-2,3-dione Investigative 2166081 C14H17N3O2 259.3 CN1CCN(CC1)CN2C3=CC=CC=C3C(=O)C2=O IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase B78LBR 1-[(4-Benzylpiperazin-1-yl)methyl]indole-2,3-dione Investigative 1912440 C20H21N3O2 335.4 C1CN(CCN1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=O)C3=O IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase BCIU04 1-[[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-bromoindole-2,3-dione Investigative 2296065 C21H20BrN3O4 458.3 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)Br)C(=O)C4=O IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase BCVZ07 8-{[Benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione Investigative 666623 C21H29N5O2 383.5 CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase BEFY20 7-Butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione Investigative 666267 C22H29ClN6O2 445 CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase BFB59Q 1,3-Dimethyl-7-(3-methylbutyl)-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione Investigative 4653534 C17H27N5O3 349.4 CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3 IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase BO6NA7 1-Morpholin-4-ylmethyl-1H-indole-2,3-dione Investigative 262696 C13H14N2O3 246.26 C1COCCN1CN2C3=CC=CC=C3C(=O)C2=O IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase BOH5P6 1,3-Dimethyl-7-(3-methylbutyl)-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione Investigative 4999777 C19H31N5O2 361.5 CC1CCN(CC1)CC2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)C IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase BV9E0P 1-[(2E)-3-Phenylprop-2-en-1-yl]-1H-indole-2,3-dione Investigative 2057118 C17H13NO2 263.29 C1=CC=C(C=C1)/C=C/CN2C3=CC=CC=C3C(=O)C2=O IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase BVX9T0 1-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-1H-indole-2,3-dione Investigative 1966642 C21H21N3O4 379.4 C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5C(=O)C4=O IC50 ~ 100000 nM Poor binder T44282 Mitochondrial aldehyde dehydrogenase D0O0LU 1-benzyl-1H-indole-2,3-dione Investigative 264734 C15H11NO2 237.25 C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O IC50 = 82000 nM Poor binder