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 B03PWY 3-[2-[4-(2-Ethoxyphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Investigative 11112527 C24H27N5O2 417.5 CCOC1=CC=CC=C1N2CCN(CC2)CCN3C=NC4=C(C3=O)NC5=CC=CC=C54 Ki = 102000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A B0UJC2 3-{3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl}-3,5-dihydro-4h-pyrimido[5,4-b]indol-4-one Investigative 11825888 C24H27N5O2 417.5 COC1=CC=CC=C1N2CCN(CC2)CCCN3C=NC4=C(C3=O)NC5=CC=CC=C54 Ki = 60300000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A B2F7SX 3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 4013695 C23H25N5O3 419.5 COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O Ki = 3720000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A B38RKS 3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Investigative 11761245 C23H25N5O2 403.5 COC1=CC=CC=C1N2CCN(CC2)CCN3C=NC4=C(C3=O)NC5=CC=CC=C54 Ki = 708000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A B39CIL Phenylpropanolamine Investigative 4786; 10297 C9H13NO 151.21 CC(C(C1=CC=CC=C1)O)N EC50 = 230000 nM Non binder T92609 Adrenergic receptor alpha-1A B4SJN7 3-[2-[4-(2-Ethoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 10950119 C24H27N5O3 433.5 CCOC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O Ki = 138000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A B57VTU 3-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one Investigative 10917023 C25H29N5O2 431.5 CC1=NC2=C(C(=O)N1CCCN3CCN(CC3)C4=CC=CC=C4OC)NC5=CC=CC=C52 Ki = 204000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A B5LDU7 3-[2-[4-(4-Propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 10928161 C25H29N5O2 431.5 CC(C)C1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O Ki = 77600000000000 nM Non binder T92609 Adrenergic receptor alpha-1A B7F6QL 2-Ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one Investigative 11812340 C26H31N5O2 445.6 CCC1=NC2=C(C(=O)N1CCCN3CCN(CC3)C4=CC=CC=C4OC)NC5=CC=CC=C52 Ki = 93300000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A B9U5LH 3-[2-[4-(4-Butylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 10950355 C26H31N5O2 445.6 CCCCC1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O Ki = 1E+28 nM Non binder T92609 Adrenergic receptor alpha-1A BE3U4F 2-Ethyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Investigative 11729700 C25H29N5O2 431.5 CCC1=NC2=C(C(=O)N1CCN3CCN(CC3)C4=CC=CC=C4OC)NC5=CC=CC=C52 Ki = 20400000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BE97ZA 3-[2-[4-(2-Methoxyphenyl)piperidin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 10093481 C24H26N4O3 418.5 COC1=CC=CC=C1C2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O Ki = 646000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BJMI90 3-[2-(2,4,4a,5-Tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 44329993 C23H23N5O3 417.5 C1CN2C(CN1CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O)COC6=CC=CC=C62 Ki = 126000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BJN8E6 3-[2-[4-(2-Chlorophenyl)-1-piperazinyl]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione Investigative 15054191 C22H22ClN5O2 423.9 C1CN(CCN1CCN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=O)C5=CC=CC=C5Cl Ki = 214000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BK7JE0 3-[2-[4-(4-Propan-2-ylphenyl)piperazin-1-yl]ethyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Investigative 11144809 C25H28N4O2S 448.6 CC(C)C1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5S4)NC3=O Ki = 1E+27 nM Non binder T92609 Adrenergic receptor alpha-1A BNRH37 3-[2-[4-(4-Tert-butylphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one Investigative 11102302 C27H33N5O 443.6 CC1=NC2=C(C(=O)N1CCN3CCN(CC3)C4=CC=C(C=C4)C(C)(C)C)NC5=CC=CC=C52 Ki = 1660000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BP69UG (4As,5R,10bR)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]isoquinoline-7,8-diol Investigative 46869265 C19H21NO2 295.4 C1CNC[C@@H]2[C@@H]1[C@@H](CC3=C2C=CC(=C3O)O)C4=CC=CC=C4 Ki = 340000 nM Non binder T92609 Adrenergic receptor alpha-1A BR20IS 2-Methyl-3-[2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Investigative 10895266 C26H31N5O 429.6 CC1=NC2=C(C(=O)N1CCN3CCN(CC3)C4=CC=C(C=C4)C(C)C)NC5=CC=CC=C52 Ki = 282000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BR67BU 3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one Investigative 10971791 C24H27N5O2 417.5 CC1=NC2=C(C(=O)N1CCN3CCN(CC3)C4=CC=CC=C4OC)NC5=CC=CC=C52 Ki = 331000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BSVH26 3-[2-[4-(2-Hydroxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 15480820 C22H23N5O3 405.4 C1CN(CCN1CCN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=O)C5=CC=CC=C5O Ki = 112000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BWSV21 3-[2-[4-(4-Cyclohexylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 10863664 C28H33N5O2 471.6 C1CCC(CC1)C2=CC=C(C=C2)N3CCN(CC3)CCN4C(=O)C5=C(C6=CC=CC=C6N5)NC4=O Ki = 10000000000000000 nM Non binder T92609 Adrenergic receptor alpha-1A BZ65QT 3-[2-[4-(4-Tert-butylphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Investigative 11762075 C26H31N5O2 445.6 CC(C)(C)C1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O Ki = 100000000000000000 nM Non binder