TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T77365 Adenosine A2a receptor D04OSE Nifedipine Approved 4485 C17H18N2O6 346.3 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC Ki = 244000 nM Non binder T77365 Adenosine A2a receptor B15PSV (4S)-1-Benzyl-4-[(4-methoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride Investigative 127039488 C18H22ClN3O 331.8 COC1=CC=C(C=C1)C[C@H]2CN(C(=N2)N)CC3=CC=CC=C3.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor B21SNW (8As)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine;hydrochloride Investigative 127040399 C14H20ClN3 265.78 C1CCN2[C@@H](C1)CN(C2=N)CC3=CC=CC=C3.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor B3Z1QH 1-Cyclopentyl-4,6-dimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione Investigative 10444746 C11H15N5O2 249.27 CN1C2=C(C(=O)N(C1=O)C)N(N=N2)C3CCCC3 Ki = 292000 nM Non binder T77365 Adenosine A2a receptor B59WLO (10As)-2-(2-pyridin-2-ylethyl)-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-imine;dihydrochloride Investigative 127038104 C18H22Cl2N4 365.3 C1[C@H]2CN(C(=N)N2CC3=CC=CC=C31)CCC4=CC=CC=N4.Cl.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor B8LEK3 4-[[(4S)-2-Amino-1-benzyl-4,5-dihydroimidazol-4-yl]methyl]phenol;hydrochloride Investigative 127039486 C17H20ClN3O 317.8 C1[C@@H](N=C(N1CC2=CC=CC=C2)N)CC3=CC=C(C=C3)O.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor BCON06 (10As)-2-(2-morpholin-4-ylethyl)-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-imine;dihydrochloride Investigative 127038106 C17H26Cl2N4O 373.3 C1COCCN1CCN2C[C@@H]3CC4=CC=CC=C4CN3C2=N.Cl.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor BFX6B1 (4S)-1-Benzyl-4-methyl-4,5-dihydroimidazol-2-amine;hydrochloride Investigative 127040044 C11H16ClN3 225.72 C[C@H]1CN(C(=N1)N)CC2=CC=CC=C2.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor BH4DL9 (10As)-2-hexyl-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-3-imine;hydrochloride Investigative 127041683 C17H26ClN3 307.9 CCCCCCN1C[C@@H]2CC3=CC=CC=C3CN2C1=N.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor BJ2G5D (4S)-1,4-Dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride Investigative 127039480 C17H20ClN3 301.8 C1[C@@H](N=C(N1CC2=CC=CC=C2)N)CC3=CC=CC=C3.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor BOZB05 (2-Amino-4H-indeno[1,2-d][1,3]thiazol-5-yl) acetate;hydroiodide Investigative 9976651 C12H11IN2O2S 374.2 CC(=O)OC1=CC=CC2=C1CC3=C2N=C(S3)N.I EC50 = 15848931.92 nM Non binder T77365 Adenosine A2a receptor BT7YV8 (4S)-1-Benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride Investigative 127039484 C17H19ClFN3 319.8 C1[C@@H](N=C(N1CC2=CC=CC=C2)N)CC3=CC=C(C=C3)F.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor BXHM12 1,4-Dibenzyl-3-methylimidazolidin-2-imine;hydrochloride Investigative 127039482 C18H22ClN3 315.8 CN1C(CN(C1=N)CC2=CC=CC=C2)CC3=CC=CC=C3.Cl Ki > 200000 nM Non binder T77365 Adenosine A2a receptor BY8WZ3 2-Cyclohexyl-4,6-dimethyl-2,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione Investigative 10106813 C12H17N5O2 263.3 CN1C2=NN(N=C2C(=O)N(C1=O)C)C3CCCCC3 Ki = 250000 nM Non binder