TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T33754 Phosphodiesterase 3 D0DF2M PMID28870136-Compound-48 Patented 2153 C7H8N4O2 180.16 CN1C2=C(C(=O)N(C1=O)C)NC=N2 IC50 = 240000 nM Non binder T33754 Phosphodiesterase 3 D07FHZ Ro 20-1724 Terminated 5087 C15H22N2O3 278.35 CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC IC50 > 300000 nM Non binder T33754 Phosphodiesterase 3 B10IBT 1-Benzyl-3-propylquinoxaline-2(1H)-one Investigative 10826458 C18H18N2O 278.3 CCCC1=NC2=CC=CC=C2N(C1=O)CC3=CC=CC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 B1I4TE 5,6a(R),7,8,9,9a(S)-Hexahydro-2,5-dimethylcyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one Investigative 10776762 C12H15N5O 245.28 CC1=NC2=C(N1)C(=O)N(C3=N[C@@H]4CCC[C@@H]4N23)C IC50 > 300000 nM Non binder T33754 Phosphodiesterase 3 B2KSL9 2,4,7,13-Tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-5-one Investigative 136058107 C9H8N4O 188.19 C1C2=C(N=CC=C2)N=C3N1CC(=O)N3 IC50 = 330000 nM Non binder T33754 Phosphodiesterase 3 B2UT0F 4-Benzylsulfanyl-2-butylthieno[3,2-d]pyrimidine Investigative 10543311 C17H18N2S2 314.5 CCCCC1=NC2=C(C(=N1)SCC3=CC=CC=C3)SC=C2 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 B30HUV 6-[4-(2-Ethoxy-2-phenylethyl)piperazin-1-yl]sulfonyl-N-methyl-N-phenylquinazolin-4-amine Investigative 13066339 C29H33N5O3S 531.7 CCOC(CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN=C3N(C)C4=CC=CC=C4)C5=CC=CC=C5 Ki = 270000 nM Non binder T33754 Phosphodiesterase 3 B32JOL 2,4-Dihydro-5-[4-(1H-imidazol-1-yl)phenyl]-3H-pyrazol-3-one Investigative 13946690 C12H10N4O 226.23 C1C(=NNC1=O)C2=CC=C(C=C2)N3C=CN=C3 IC50 = 590000 nM Non binder T33754 Phosphodiesterase 3 B42HJK N-Benzyl-2-(4-butylphenoxy)thieno[3,2-d]pyrimidin-4-amine Investigative 44352576 C23H23N3OS 389.5 CCCCC1=CC=C(C=C1)OC2=NC3=C(C(=N2)NCC4=CC=CC=C4)SC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 B43PFU N-Benzyl-2-(cyclohexylmethyl)thieno[3,2-d]pyrimidine-4-amine Investigative 10688351 C20H23N3S 337.5 C1CCC(CC1)CC2=NC3=C(C(=N2)NCC4=CC=CC=C4)SC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 B4JW6C 9-(2-Fluorobenzyl)-N-methyl-2-(trifluoromethyl)-9H-purin-6-amine Investigative 9818702 C14H11F4N5 325.26 CNC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)CC3=CC=CC=C3F IC50 = 380000 nM Non binder T33754 Phosphodiesterase 3 B4W9HS N,9-Dimethyl-2-(trifluoromethyl)purin-6-amine Investigative 10704663 C8H8F3N5 231.18 CNC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C IC50 = 331000 nM Non binder T33754 Phosphodiesterase 3 B57WNT 6-Oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile Investigative 131989 C11H7N3O 197.19 C1=CN=CC=C1C2=CNC(=O)C(=C2)C#N IC50 = 380000 nM Non binder T33754 Phosphodiesterase 3 B5BC1H Proxyphylline Investigative 4977 C10H14N4O3 238.24 CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O Ki = 1000000 nM Non binder T33754 Phosphodiesterase 3 B5G2JW 5-[(2-Chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile Investigative 70695095 C14H11ClN2O 258.7 CC1=C(C=C(C(=O)N1)CC2=CC=CC=C2Cl)C#N IC50 = 423200 nM Non binder T33754 Phosphodiesterase 3 B5PMJ6 4,4-Dimethyl-3-(4-pyridin-4-ylphenyl)-1H-pyrazol-5-one Investigative 13946687 C16H15N3O 265.31 CC1(C(=NNC1=O)C2=CC=C(C=C2)C3=CC=NC=C3)C IC50 = 220000 nM Non binder T33754 Phosphodiesterase 3 B5RIF6 Ethyl 5-[(3-chlorophenyl)methyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxylate Investigative 70686742 C21H18ClNO3 367.8 CCOC(=O)C1=C(NC(=O)C(=C1)CC2=CC(=CC=C2)Cl)C3=CC=CC=C3 IC50 = 312400 nM Non binder T33754 Phosphodiesterase 3 B5SMX6 2-(4-Imidazol-1-ylanilino)-1,4-dihydroimidazol-5-one Investigative 14177142 C12H11N5O 241.25 C1C(=O)NC(=N1)NC2=CC=C(C=C2)N3C=CN=C3 IC50 = 250000 nM Non binder T33754 Phosphodiesterase 3 B65JKE Ethyl 14-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate Investigative 44367306 C22H26N2O2 350.5 CCC1CCN2CCC3=C4C2C1C=C(N4C5=CC=CC=C35)C(=O)OCC IC50 > 500000 nM Non binder T33754 Phosphodiesterase 3 B6OV3Y 2-Propyl-4-benzylpyrido[2,3-b]pyrazine-3(4H)-one Investigative 10564633 C17H17N3O 279.34 CCCC1=NC2=C(N=CC=C2)N(C1=O)CC3=CC=CC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 B6S9FJ N-Benzyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine Investigative 10734331 C18H14N4S 318.4 C1=CC=C(C=C1)CNC2=NC(=NC3=C2SC=C3)C4=CC=NC=C4 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 B78HIA 2,2-Difluoro-6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one Investigative 10469627 C13H9F2N3OS 293.29 CC1=NC2=C(C=C1C3=CC=NC=C3)SC(C(=O)N2)(F)F IC50 > 3000000 nM Non binder T33754 Phosphodiesterase 3 B8CJE0 6-(1,4,5,6-Tetrahydro-6-oxopyridazin-3-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one Investigative 15599415 C12H11N3O3 245.23 C1CC(=O)NN=C1C2=CC3=C(C=C2)OCC(=O)N3 IC50 = 630000 nM Non binder T33754 Phosphodiesterase 3 B94GUT 2-Butyl-5-(3-aminobenzyl)-3,5-dihydro-2H-pyrazolo[4,3-c]quinoline-3-one Investigative 44323427 C21H22N4O 346.4 CCCCN1C(=O)C2=CN(C3=CC=CC=C3C2=N1)CC4=CC(=CC=C4)N IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 B9FK7T 9-[(2-Fluorophenyl)methyl]-6-piperidin-1-ylpurine;hydrochloride Investigative 45260180 C17H19ClFN5 347.8 C1CCN(CC1)C2=NC=NC3=C2N=CN3CC4=CC=CC=C4F.Cl IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 B9P6UN 9-Benzyl-N-methylpurin-6-amine;methanesulfonic acid Investigative 44295200 C14H17N5O3S 335.38 CNC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3.CS(=O)(=O)O IC50 = 339000 nM Non binder T33754 Phosphodiesterase 3 BA5Y6C N-Benzyl-2-phenethylthieno[3,2-d]pyrimidine-4-amine Investigative 10593644 C21H19N3S 345.5 C1=CC=C(C=C1)CCC2=NC3=C(C(=N2)NCC4=CC=CC=C4)SC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BB30HZ N,N-Dibenzyl-2-butylthieno[3,2-d]pyrimidine-4-amine Investigative 10786459 C24H25N3S 387.5 CCCCC1=NC2=C(C(=N1)N(CC3=CC=CC=C3)CC4=CC=CC=C4)SC=C2 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BBDS62 2-Butyl-5-phenethyl-3,5-dihydro-2H-pyrazolo[4,3-c]quinoline-3-one Investigative 44323270 C22H23N3O 345.4 CCCCN1C(=O)C2=CN(C3=CC=CC=C3C2=N1)CCC4=CC=CC=C4 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BCO56F N-(6-Methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)acetamide Investigative 205981 C11H15N5O 233.27 CCCC1=NC(=CN2C1=NN=C2NC(=O)C)C Ki = 217000 nM Non binder T33754 Phosphodiesterase 3 BEB59N N-Benzyl-N-methyl-2-butylthieno[3,2-d]pyrimidine-4-amine Investigative 10852535 C18H21N3S 311.4 CCCCC1=NC2=C(C(=N1)N(C)CC3=CC=CC=C3)SC=C2 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BEG1A9 1-Butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione Investigative 44339609 C12H20N4O2 252.31 CCCCN1C(=O)C2C(N=CN2)N(C1=O)CCC IC50 > 300000 nM Non binder T33754 Phosphodiesterase 3 BF3C5W 2-Butyl-3-benzylquinazoline-4(3H)-one Investigative 10779997 C19H20N2O 292.4 CCCCC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BFB82G N-(Cyclohexylmethyl)-2-butylthieno[3,2-d]pyrimidine-4-amine Investigative 10494678 C17H25N3S 303.5 CCCCC1=NC2=C(C(=N1)NCC3CCCCC3)SC=C2 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BFY6T9 N-Methyl-9-(2-phenylethyl)-2-(trifluoromethyl)purin-6-amine Investigative 10567758 C15H14F3N5 321.3 CNC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)CCC3=CC=CC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BG8XV2 N,2-Dibenzyl-7H-purin-6-amine Investigative 10663161 C19H17N5 315.4 C1=CC=C(C=C1)CC2=NC3=C(C(=N2)NCC4=CC=CC=C4)NC=N3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BH84YM N-Butyl-9-[(2-fluorophenyl)methyl]purin-6-amine;hydrochloride Investigative 45260248 C16H19ClFN5 335.81 CCCCNC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3F.Cl IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BI13HZ N-Benzyl-2-phenylthieno[3,2-d]pyrimidine-4-amine Investigative 10805458 C19H15N3S 317.4 C1=CC=C(C=C1)CNC2=NC(=NC3=C2SC=C3)C4=CC=CC=C4 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BJCH18 3-Benzyl-2-butylpyrido[2,3-d]pyrimidin-4-one Investigative 44352733 C18H19N3O 293.4 CCCCC1=NC2=C(C=CC=N2)C(=O)N1CC3=CC=CC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BK96LG 9-[(2-Fluorophenyl)methyl]-N,8-dimethylpurin-6-amine;methanesulfonic acid Investigative 44294818 C15H18FN5O3S 367.4 CC1=NC2=C(N=CN=C2N1CC3=CC=CC=C3F)NC.CS(=O)(=O)O IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BL4DP8 N-Benzyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-amine Investigative 44352624 C18H20N4S 324.4 C1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4)SC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BM1QS8 N-(2-Butylthieno[3,2-d]pyrimidin-4-yl)benzamide Investigative 10567025 C17H17N3OS 311.4 CCCCC1=NC2=C(C(=N1)NC(=O)C3=CC=CC=C3)SC=C2 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BN25GR 5-[(2,4-Dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile Investigative 70695096 C14H10Cl2N2O 293.1 CC1=C(C=C(C(=O)N1)CC2=C(C=C(C=C2)Cl)Cl)C#N IC50 = 280700 nM Non binder T33754 Phosphodiesterase 3 BN6X9U 4-Ethyl-3-(4-imidazol-1-ylphenyl)-1,4-dihydropyrazol-5-one Investigative 13946680 C14H14N4O 254.29 CCC1C(=NNC1=O)C2=CC=C(C=C2)N3C=CN=C3 IC50 = 270000 nM Non binder T33754 Phosphodiesterase 3 BQ4CU7 (2R,3S)-3-(6-Amino-9H-purin-9-yl)nonan-2-ol Investigative 149784 C14H23N5O 277.37 CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C(N=CN=C21)N Ki > 200000 nM Non binder T33754 Phosphodiesterase 3 BR5D0B 1H-Imidazo(4,5-b)pyridine, 2-(2,4-dimethoxyphenyl)- Investigative 156890 C14H13N3O2 255.27 COC1=CC(=C(C=C1)C2=NC3=C(N2)C=CC=N3)OC IC50 = 390000 nM Non binder T33754 Phosphodiesterase 3 BSD2W8 4-(4-Imidazol-1-yl-phenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Investigative 44279839 C17H18N4O 294.35 C1CCC2C(C1)C(=NNC2=O)C3=CC=C(C=C3)N4C=CN=C4 IC50 = 220000 nM Non binder T33754 Phosphodiesterase 3 BT2AE9 2-Butyl-N-cyclohexylthieno[3,2-d]pyrimidine-4-amine Investigative 10266192 C16H23N3S 289.4 CCCCC1=NC2=C(C(=N1)NC3CCCCC3)SC=C2 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BT6QC5 4-Methyl-6-(4-methylpiperazin-1-yl)-3H-quinazolin-2-one Investigative 13563538 C14H18N4O 258.32 CC1=C2C=C(C=CC2=NC(=O)N1)N3CCN(CC3)C IC50 = 300000 nM Non binder T33754 Phosphodiesterase 3 BV5IT4 N-Benzyl-2-(cyclopentylmethyl)thieno[3,2-d]pyrimidine-4-amine Investigative 10758281 C19H21N3S 323.5 C1CCC(C1)CC2=NC3=C(C(=N2)NCC4=CC=CC=C4)SC=C3 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BW9EM5 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-, (R)- Investigative 158962 C10H14N4O3 238.24 C[C@H](CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O Ki = 1100000 nM Non binder T33754 Phosphodiesterase 3 BXD8Z7 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-, (S)- Investigative 158961 C10H14N4O3 238.24 C[C@@H](CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O Ki = 1200000 nM Non binder T33754 Phosphodiesterase 3 BXD92B N-Benzyl-N-propyl-2-butylthieno[3,2-d]pyrimidine-4-amine Investigative 10783300 C20H25N3S 339.5 CCCCC1=NC2=C(C(=N1)N(CCC)CC3=CC=CC=C3)SC=C2 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BXVP10 9-[(2-Fluorophenyl)methyl]-N-methyl-2-phenylpurin-6-amine;methanesulfonic acid Investigative 44295026 C20H20FN5O3S 429.5 CNC1=C2C(=NC(=N1)C3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4F.CS(=O)(=O)O IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 BZ46HO 9-[(2-Fluorophenyl)methyl]-N,2-dimethylpurin-6-amine;methanesulfonic acid Investigative 44295178 C15H18FN5O3S 367.4 CC1=NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3F)NC.CS(=O)(=O)O IC50 = 250000 nM Non binder T33754 Phosphodiesterase 3 BZ86OK 2-(Cyclobutylmethyl)-5-benzyl-3,5-dihydro-2H-pyrazolo[4,3-c]quinoline-3-one Investigative 12016994 C22H21N3O 343.4 C1CC(C1)CN2C(=O)C3=CN(C4=CC=CC=C4C3=N2)CC5=CC=CC=C5 IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 D0S4JI 9-BENZYL-9H-ADENINE Investigative 20262 C12H11N5 225.25 C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)N IC50 > 200000 nM Non binder T33754 Phosphodiesterase 3 D0V5BX NITRAQUAZONE Investigative 68765 C16H13N3O4 311.29 CCN1C(=O)C2=CC=CC=C2N(C1=O)C3=CC(=CC=C3)[N+](=O)[O-] IC50 > 200000 nM Non binder