TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T92609 Adrenergic receptor alpha-1A B54TRF 4-(2-Amino-1-hydroxyethyl)-3-fluorobenzene-1,2-diol Investigative 172745 C8H10FNO3 187.17 C1=CC(=C(C(=C1C(CN)O)F)O)O Ki ~ 50000 nM Poor binder T92609 Adrenergic receptor alpha-1A BH7WA4 2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)- Investigative 5328775 C20H20N2O3 336.4 C1=CC=C(C=C1)CCCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N IC50 ~ 100000 nM Poor binder T92609 Adrenergic receptor alpha-1A BMY5B6 (2E)-3-(4-Hydroxyphenyl)-N-(4-phenylbutyl)acrylamide Investigative 10357155 C19H21NO2 295.4 C1=CC=C(C=C1)CCCCNC(=O)/C=C/C2=CC=C(C=C2)O IC50 ~ 100000 nM Poor binder T92609 Adrenergic receptor alpha-1A BO8L2D 1-(4-Benzylpiperidin-1-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one Investigative 10615770 C21H23NO2 321.4 C1CN(CCC1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)O IC50 ~ 100000 nM Poor binder T92609 Adrenergic receptor alpha-1A BU56EC N-(5-Bromoquinoxalin-6-yl)-4,5-dihydro-1,3-oxazol-2-amine Investigative 44312198 C11H9BrN4O 293.12 C1COC(=N1)NC2=C(C3=NC=CN=C3C=C2)Br Ki = 91201.08 nM Poor binder T92609 Adrenergic receptor alpha-1A BXGY68 (2E)-3-(2,4-Dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide Investigative 10616819 C17H15Cl2NO2 336.2 C1=CC(=CC=C1CCNC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)O IC50 ~ 100000 nM Poor binder T92609 Adrenergic receptor alpha-1A BY4Z3Q 4-(4,5-Dihydro-1,3-oxazol-2-yl)morpholine Investigative 21392988 C7H12N2O2 156.18 C1COC(=N1)N2CCOCC2 Ki = 107151.93 nM Poor binder T92609 Adrenergic receptor alpha-1A D09CUJ 6-fluoro-noradrenaline Investigative 1862 C8H10FNO3 187.17 C1=C(C(=CC(=C1O)O)F)C(CN)O EC50 = 125000 nM Poor binder