TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T92072 Adenosine A1 receptor B01FQP 2-N-(4-Chlorophenyl)-7-N,7-N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine Investigative 76313641 C13H12ClN5S 305.79 CN(C)C1=C2C(=NC=N1)SC(=N2)NC3=CC=C(C=C3)Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B01LHR 1-(4-Methoxyphenyl)-3-[11-methyl-4-(4-phenylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea Investigative 56664888 C27H22N8O2 490.5 CN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)NC(=O)NC6=CC=C(C=C6)OC Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B09ZWJ 7-(2-Hydroxypropyl)-7H-adenine Investigative 44572472 C8H11N5O 193.21 CC(CN1C=NC2=NC=NC(=C21)N)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B0DLX3 7-N,7-N-Dimethyl-2-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine Investigative 76335345 C13H13N5S 271.34 CN(C)C1=C2C(=NC=N1)SC(=N2)NC3=CC=CC=C3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B0HPC6 Ethyl 6-(dibenzoylamino)-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732301 C23H19N5O4 429.4 CCOC(=O)C1=NC(=NC2=NN(C=C12)C)N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B0W2MY (2-Oxo-3-thiophen-3-ylchromen-8-yl) acetate Investigative 127051851 C15H10O4S 286.3 CC(=O)OC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC=C3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B16CBW 7-N-Benzyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine Investigative 127036812 C18H19N7O 349.4 CC(C)NC1=NC2=NC(=NN2C(=N1)NCC3=CC=CC=C3)C4=CC=CO4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B19NWC N-Benzoyl-N-(4-chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-yl)benzamide Investigative 76332281 C20H14ClN5O2 391.8 CN1C=C2C(=N1)N=C(N=C2Cl)N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 Ki ~ 60000 nM Poor binder T92072 Adenosine A1 receptor B1FUH7 6-Hydroxy-5,7,9-trimethyl-beta-carboline Investigative 44567439 C14H14N2O 226.27 CC1=CC2=C(C(=C1O)C)C3=C(N2C)C=NC=C3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B1HUS6 11-Methyl-4-(4-phenylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine Investigative 56668410 C19H15N7 341.4 CN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B1O3KS Ethyl 6-[bis(3,4-difluorobenzoyl)amino]-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732303 C23H15F4N5O4 501.4 CCOC(=O)C1=NC(=NC2=NN(C=C12)C)N(C(=O)C3=CC(=C(C=C3)F)F)C(=O)C4=CC(=C(C=C4)F)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B1Y7OU N-Benzoyl-N-[4-chloro-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzamide Investigative 76335922 C27H20ClN5O2 481.9 C1=CC=C(C=C1)CCN2C=C3C(=N2)N=C(N=C3Cl)N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B26UCT 2,5,7-Trimethyl-9H-pyrido[3,4-b]indol-2-ium-6-ol;iodide Investigative 45266426 C14H15IN2O 354.19 CC1=CC2=C(C(=C1O)C)C3=C(N2)C=[N+](C=C3)C.[I-] Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B28SMU Chembl4283491 Investigative 145991651 C17H20N6O5 388.4 CC(C)(C)OC(=O)NCCNC1=NC=C(C2=NC(=NN21)C3=CC=CO3)C(=O)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B2UB0O (2S,3R,4S)-2-(Hydroxymethyl)-5-[(8R)-5-imino-8-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-3-yl]oxolane-3,4-diol Investigative 135976467 C18H20N6O4 384.4 C1[C@H](NC2=C3C(=NC(=N)N21)N(C=N3)C4[C@H]([C@H]([C@@H](O4)CO)O)O)C5=CC=CC=C5 EC50 = 100000 nM Poor binder T92072 Adenosine A1 receptor B30WYF N-[4-Chloro-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-6-yl]-4-(trifluoromethyl)benzamide Investigative 76332279 C18H17ClF3N5O 411.8 CC(C)(C)CN1C=C2C(=N1)N=C(N=C2Cl)NC(=O)C3=CC=C(C=C3)C(F)(F)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B31EDL (2R,3R,4S,5R)-2-[6-Amino-8-(2-phenylethynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Investigative 9999033 C18H17N5O4 367.4 C1=CC=C(C=C1)C#CC2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B3MY9S N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(dimethylamino)-2-(4-methylanilino)-1,3-thiazole-5-carboxamide Investigative 118729974 C22H23N5OS2 437.6 CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)N(C)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B3P1MG (2-Amino-4,5-dihydrobenzo[e][1,3]benzothiazol-7-yl) acetate;hydroiodide Investigative 10200261 C13H13IN2O2S 388.23 CC(=O)OC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)N.I EC50 = 158489.32 nM Poor binder T92072 Adenosine A1 receptor B3P4IF Chembl4276937 Investigative 145984161 C24H23N5O2S 445.5 CC1=CC=C(C=C1)N2C(=CN=C2N)C(=O)C3=C(N=C(S3)N4CCOCC4)C5=CC=CC=C5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B3S0XC 11-Methyl-4-[4-(trifluoromethyl)phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine Investigative 56657920 C14H10F3N7 333.27 CN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=C(C=C4)C(F)(F)F)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B3XW1A N-Benzyl-2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine Investigative 127036641 C21H16N6O2 384.4 C1=CC=C(C=C1)CNC2=NC(=NC3=NC(=NN32)C4=CC=CO4)OC5=CC=CC=C5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B46MKN 2-(Furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid Investigative 118707881 C11H9N5O3 259.22 CNC1=NC=C(C2=NC(=NN21)C3=CC=CO3)C(=O)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B4F2LV 7-Chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 127045165 C14H13ClN4O3S 352.8 COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(S2)N=CN=C3Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B4J3CY Ethyl 6-(dibenzoylamino)-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732305 C30H25N5O4 519.5 CCOC(=O)C1=NC(=NC2=NN(C=C12)CCC3=CC=CC=C3)N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B4OYG8 6-Ethylthieno[2,3-d]pyrimidin-4(3H)-one Investigative 645569 C8H8N2OS 180.23 CCC1=CC2=C(S1)N=CNC2=O Ki = 75857.76 nM Poor binder T92072 Adenosine A1 receptor B4PVO8 N-(4-Chlorophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 76320863 C15H14ClN5S 331.8 C1CCN(C1)C2=C3C(=NC=N2)SC(=N3)NC4=CC=C(C=C4)Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B4SA3X Ethyl 2-[[2-(acetyloxyamino)-4-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Investigative 118729972 C19H24N4O5S2 452.6 CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N=C(S3)NOC(=O)C)N(C)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B54UWE N-(3-Bromophenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 127043818 C15H14BrN5S 376.3 C1CCN(C1)C2=C3C(=NC=N2)SC(=N3)NC4=CC(=CC=C4)Br Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B5AY7U (2-Oxo-3-thiophen-2-ylchromen-8-yl) acetate Investigative 127051849 C15H10O4S 286.3 CC(=O)OC1=CC=CC2=C1OC(=O)C(=C2)C3=CC=CS3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B5BI2A 2-[(4-Acetylphenyl)ethynyl]-N6-methoxy-5''-N-methylcarboxamidoadenosine Investigative 16115905 C22H22N6O6 466.4 CC(=O)C1=CC=C(C=C1)C#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C(=O)NC)O)O)NOC Ki = 53800 nM Poor binder T92072 Adenosine A1 receptor B5HGL2 8-Bromo-9-cycloheptyl-9H-adenine Investigative 44572410 C12H16BrN5 310.19 C1CCCC(CC1)N2C3=NC=NC(=C3N=C2Br)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B5PDH0 Ethyl 6-[bis(4-bromobenzoyl)amino]-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732302 C23H17Br2N5O4 587.2 CCOC(=O)C1=NC(=NC2=NN(C=C12)C)N(C(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=C(C=C4)Br Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B61WME Phenyl(2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl)methanol Investigative 22674422 C14H9F3N2OS 310.3 C1=CC=C(C=C1)C(C2=NC(=NC3=C2SC=C3)C(F)(F)F)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B6GE0I 1,3-Dimethyl-8-[4-methoxy-3-(2-morpholin-4-ylethoxy)-phenylxanthine Investigative 42631507 C20H25N5O5 415.4 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=C(C=C3)OC)OCCN4CCOCC4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B6V4JQ 5-[(4-Fluorophenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid Investigative 118707892 C17H12FN5O3 353.31 C1=COC(=C1)C2=NN3C(=N2)C(=CN=C3NCC4=CC=C(C=C4)F)C(=O)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B6VK1F N-(4-Chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide Investigative 76317721 C14H9ClF3N5O 355.7 CN1C=C2C(=N1)N=C(N=C2Cl)NC(=O)C3=CC=C(C=C3)C(F)(F)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B6WM5I 7-(4-Ethylpiperazin-1-yl)-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 76328083 C17H20N6S 340.4 CCN1CCN(CC1)C2=C3C(=NC=N2)SC(=N3)NC4=CC=CC=C4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B72OGC (8-Acetyloxy-2-oxo-3-thiophen-3-ylchromen-7-yl) acetate Investigative 127051852 C17H12O6S 344.3 CC(=O)OC1=C(C2=C(C=C1)C=C(C(=O)O2)C3=CSC=C3)OC(=O)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B74AZE 7-Methyladenine Investigative 71593 C6H7N5 149.15 CN1C=NC2=NC=NC(=C21)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B7EZ4B N-[5-(4-Amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide Investigative 72197515 C25H21N5O2S2 487.6 CC1=C(SC2=NC(=NC(=C12)N)C3=C(N=C(S3)NC(=O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B7GV4S 5-(Cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide Investigative 118707849 C25H27N7O3 473.5 C1CCC(CC1)NC(=O)NC2=NC=C(C3=NC(=NN32)C4=CC=CO4)C(=O)NCCC5=CC=CC=C5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B7L3BT Chembl4294838 Investigative 145994068 C24H23N5O3S 461.5 COC1=CC=C(C=C1)N2C(=CN=C2N)C(=O)C3=C(N=C(S3)N4CCOCC4)C5=CC=CC=C5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B7R9MW N-(4-Chlorophenyl)-7-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 76328082 C16H17ClN6S 360.9 CN1CCN(CC1)C2=C3C(=NC=N2)SC(=N3)NC4=CC=C(C=C4)Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B7W1TM N-(4-Chlorophenyl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 76309925 C15H14ClN5OS 347.8 C1COCCN1C2=C3C(=NC=N2)SC(=N3)NC4=CC=C(C=C4)Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B7XTU0 1,3-Dimethyl-8-[3-methoxy-4-(2-morpholin-4-ylethoxy)-phenylxanthine Investigative 42631715 C20H25N5O5 415.4 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=C(C=C3)OCCN4CCOCC4)OC Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B81YFA Ethyl 2-(furan-2-yl)-5-[(2-phenylacetyl)amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate Investigative 118707853 C20H17N5O4 391.4 CCOC(=O)C1=CN=C(N2C1=NC(=N2)C3=CC=CO3)NC(=O)CC4=CC=CC=C4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B8EI4M Ethyl 2-propan-2-yl-6-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732292 C19H18F3N5O3 421.4 CCOC(=O)C1=NC(=NC2=NN(C=C12)C(C)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B8OY4R Phenyl-[2-(trifluoromethyl)quinazolin-4-yl]methanol Investigative 44449746 C16H11F3N2O 304.27 C1=CC=C(C=C1)C(C2=NC(=NC3=CC=CC=C32)C(F)(F)F)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B9AVJ8 Ethyl 6-[(4-fluorobenzoyl)amino]-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732287 C16H14FN5O3 343.31 CCOC(=O)C1=NC(=NC2=NN(C=C12)C)NC(=O)C3=CC=C(C=C3)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B9GY8T N-(4-Chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-methylbenzamide Investigative 76328597 C14H12ClN5O 301.73 CC1=CC=C(C=C1)C(=O)NC2=NC3=NN(C=C3C(=N2)Cl)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B9LH0E 8-(1-Hexynyl)adenosine Investigative 10247091 C16H21N5O4 347.37 CCCCC#CC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B9SO7Z 1-(4-Fluorophenyl)-3-[11-methyl-4-(4-phenylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea Investigative 56671922 C26H19FN8O 478.5 CN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)NC(=O)NC6=CC=C(C=C6)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B9YWO3 N-(4-Chlorophenyl)-7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 76335346 C16H16ClN5S 345.9 C1CCN(CC1)C2=C3C(=NC=N2)SC(=N3)NC4=CC=C(C=C4)Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor B9Z2QD 9H-Purin-6-amine, 9-(2-methylpropyl)- Investigative 44572353 C9H13N5 191.23 CC(C)CN1C=NC2=C(N=CN=C21)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BA24PS 7-Isobutyl-7H-adenine Investigative 44572354 C9H13N5 191.23 CC(C)CN1C=NC2=NC=NC(=C21)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BA9O1X 1,3-Dimethyl-8-[4-methoxy-3-(2-piperidin-1-ylethoxy)-phenyl]xanthine Investigative 42631813 C21H27N5O4 413.5 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=C(C=C3)OC)OCCN4CCCCC4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BAFZ91 Chembl4294681 Investigative 145994175 C19H24N6O5 416.4 CCOC(=O)C1=CN=C(N2C1=NC(=N2)C3=CC=CO3)NCCNC(=O)OC(C)(C)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BB5PO9 5-(Cyclohexylcarbamoylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid Investigative 118707854 C17H18N6O4 370.4 C1CCC(CC1)NC(=O)NC2=NC=C(C3=NC(=NN32)C4=CC=CO4)C(=O)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BB5WK1 9-Cyclohexyladenine Investigative 95121 C11H15N5 217.27 C1CCC(CC1)N2C=NC3=C(N=CN=C32)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BB7E3V Ethyl 6-[(4-methylbenzoyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732298 C24H23N5O3 429.5 CCOC(=O)C1=NC(=NC2=NN(C=C12)CCC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BBJY83 (2S,3S,4R,5R)-N-Ethyl-3,4-dihydroxy-5-[6-[(3-hydroxy-1-adamantyl)amino]purin-9-yl]oxolane-2-carboxamide Investigative 127026252 C22H30N6O5 458.5 CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC45CC6CC(C4)CC(C6)(C5)O)O)O EC50 = 100000 nM Poor binder T92072 Adenosine A1 receptor BC5LK1 2-Cyclopropyl-6-ethyl-3H,4H-thieno[2,3-d]pyrimidin-4-one Investigative 47069386 C11H12N2OS 220.29 CCC1=CC2=C(S1)N=C(NC2=O)C3CC3 Ki = 61659.5 nM Poor binder T92072 Adenosine A1 receptor BEAK01 Ethyl 2-(2,2-dimethylpropyl)-6-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 76335924 C21H22F3N5O3 449.4 CCOC(=O)C1=NC(=NC2=NN(C=C12)CC(C)(C)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BF7JV1 [3-(4-Bromothiophen-2-yl)-2-oxochromen-8-yl] acetate Investigative 127052152 C15H9BrO4S 365.2 CC(=O)OC1=CC=CC2=C1OC(=O)C(=C2)C3=CC(=CS3)Br Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BFC2X6 (7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-p-tolyl-amine Investigative 11608818 C12H9ClN4S 276.75 CC1=CC=C(C=C1)NC2=NC3=C(S2)N=CN=C3Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BFZE38 6-Amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide Investigative 118732280 C11H16N6O 248.28 CC(C)(C)CN1C=C2C(=NC(=NC2=N1)N)C(=O)N Ki ~ 90000 nM Poor binder T92072 Adenosine A1 receptor BGNO80 2-(3-Furyl)-6-ethylthieno[2,3-d]pyrimidine-4(3H)-one Investigative 71878833 C12H10N2O2S 246.29 CCC1=CC2=C(S1)N=C(NC2=O)C3=COC=C3 Ki = 56234.13 nM Poor binder T92072 Adenosine A1 receptor BH23DY 2,5,7,9-Tetramethylpyrido[3,4-b]indol-2-ium-6-ol;iodide Investigative 45266415 C15H17IN2O 368.21 CC1=CC2=C(C(=C1O)C)C3=C(N2C)C=[N+](C=C3)C.[I-] Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BH7GR3 7-Ethylpurin-6-amine Investigative 185566 C7H9N5 163.18 CCN1C=NC2=NC=NC(=C21)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BH92MS 8-[4-(2-Dimethylaminoethoxy)-3-methoxyphenyl]-1,3-dimethylxanthine Investigative 42631613 C18H23N5O4 373.4 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=C(C=C3)OCCN(C)C)OC Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BI0HB7 Chembl4286092 Investigative 145993092 C16H18N6O3 342.35 CCOC(=O)C1=CN=C(N2C1=NC(=N2)C3=CC=CO3)N4CCNCC4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BI3L9N Ethyl 2-(furan-2-yl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate Investigative 118707876 C16H17N5O4 343.34 CCOC(=O)C1=CN=C(N2C1=NC(=N2)C3=CC=CO3)N4CCOCC4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BJ2L5X Chembl4290655 Investigative 145987813 C21H26N6O5 442.5 CCOC(=O)C1=CN=C(N2C1=NC(=N2)C3=CC=CO3)N4CCN(CC4)C(=O)OC(C)(C)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BJ4NK5 N-(4-Chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluorobenzamide Investigative 76328596 C13H9ClFN5O 305.69 CN1C=C2C(=N1)N=C(N=C2Cl)NC(=O)C3=CC=C(C=C3)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BJ51GE 4-(4-Chlorophenyl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine Investigative 11731871 C20H16ClN7 389.8 C1=CC=C(C=C1)CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=C(C=C5)Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BJC2E0 7-(Sec-Butyl)-7H-adenine Investigative 44572294 C9H13N5 191.23 CCC(C)N1C=NC2=NC=NC(=C21)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BJE4L3 Ethyl 2-(furan-2-yl)-5-(morpholin-4-ylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate Investigative 118707878 C16H18N6O4 358.35 CCOC(=O)C1=CN=C(N2C1=NC(=N2)C3=CC=CO3)NN4CCOCC4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BJPE98 (7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)phenylamine Investigative 11492651 C11H7ClN4S 262.72 C1=CC=C(C=C1)NC2=NC3=C(S2)N=CN=C3Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BJU30E 7-Pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 127044518 C18H21N5O3S 387.5 COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(N=CN=C3S2)N4CCCC4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BK2Y1H 2-(Furan-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid Investigative 118707894 C18H12F3N5O3 403.3 C1=COC(=C1)C2=NN3C(=N2)C(=CN=C3NCC4=CC=C(C=C4)C(F)(F)F)C(=O)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BL5R9X 7-N,7-N-Diethyl-2-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine Investigative 76331755 C15H17N5S 299.4 CCN(CC)C1=C2C(=NC=N1)SC(=N2)NC3=CC=CC=C3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BLNC02 7-Morpholin-4-yl-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 76313639 C15H15N5OS 313.4 C1COCCN1C2=C3C(=NC=N2)SC(=N3)NC4=CC=CC=C4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BLP8R3 6-Methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide Investigative 10125973 C11H11IN2OS 346.19 COC1=CC2=C(C=C1)C3=C(C2)SC(=N3)N.I EC50 = 50000 nM Poor binder T92072 Adenosine A1 receptor BM2QH4 8-[4-(2-Diethylaminoethoxy)-3-methoxyphenyl]-1,3-dimethylxanthine Investigative 42631399 C20H27N5O4 401.5 CCN(CC)CCOC1=C(C=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C)OC Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BM79RU N-(4-Chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-yl)benzamide Investigative 76335918 C13H10ClN5O 287.7 CN1C=C2C(=N1)N=C(N=C2Cl)NC(=O)C3=CC=CC=C3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BM8T2E (2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-(methoxyamino)-2-((4-methoxyphenyl)ethynyl)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide Investigative 45482870 C21H22N6O6 454.4 CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CC4=CC=C(C=C4)OC)NOC)O)O Ki = 53800 nM Poor binder T92072 Adenosine A1 receptor BMZX30 N-[4-Chloro-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-yl]-4-(trifluoromethyl)benzamide Investigative 76328599 C21H15ClF3N5O 445.8 C1=CC=C(C=C1)CCN2C=C3C(=N2)N=C(N=C3Cl)NC(=O)C4=CC=C(C=C4)C(F)(F)F Ki ~ 60000 nM Poor binder T92072 Adenosine A1 receptor BN06JD 8-(2,5-Dioxo-2,5-dihydro-pyrrol-1-ylmethyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione Investigative 10405277 C16H19N5O4 345.35 CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CN3C(=O)C=CC3=O IC50 ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BN4X1C 7-(2,3-Dihydroxypropyl)-7H-adenine Investigative 20847387 C8H11N5O2 209.21 C1=NC(=C2C(=N1)N=CN2CC(CO)O)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BNT03U 8-(3-Phenyl-3-oxo-1-propenyl)adenosine Investigative 10250190 C19H19N5O5 397.4 C1=CC=C(C=C1)C(=O)/C=C/C2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BP1GX0 Chembl4285947 Investigative 145990207 C24H20N6O2 424.5 CNC1=NC=C(C2=NC(=NN21)C3=CC=CO3)C(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BP9DX4 N-[(4-Fluorophenyl)methyl]-2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine Investigative 127036642 C21H15FN6O2 402.4 C1=CC=C(C=C1)OC2=NC3=NC(=NN3C(=N2)NCC4=CC=C(C=C4)F)C5=CC=CO5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BPG1X8 5-[(4-Chlorophenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid Investigative 118707893 C17H12ClN5O3 369.8 C1=COC(=C1)C2=NN3C(=N2)C(=CN=C3NCC4=CC=C(C=C4)Cl)C(=O)O Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BQ69BH Chembl4167197 Investigative 145954995 C18H19N5O2 337.4 CN1C(=NC2=C(N=CN=C21)NC3CCCC3)C4=CC=C(C=C4)C(=O)O Ki = 54000 nM Poor binder T92072 Adenosine A1 receptor BQB1U3 5-N-Cyclohexyl-7-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine Investigative 127036846 C21H22FN7O 407.4 C1CCC(CC1)NC2=NC3=NC(=NN3C(=N2)NCC4=CC=C(C=C4)F)C5=CC=CO5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BR9B2Y N-Phenyl-7-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 76313640 C21H26N6S 394.5 C1CCN(CC1)C2CCN(CC2)C3=C4C(=NC=N3)SC(=N4)NC5=CC=CC=C5 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BS72CT 2-Neopentyl-6-(4-methylbenzoylamino)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid ethyl ester Investigative 76328600 C21H25N5O3 395.5 CCOC(=O)C1=NC(=NC2=NN(C=C12)CC(C)(C)C)NC(=O)C3=CC=C(C=C3)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BU4MS2 1-(4-Methoxyphenyl)-3-[11-methyl-4-[4-(trifluoromethyl)phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea Investigative 56675199 C22H17F3N8O2 482.4 CN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=C(C=C4)C(F)(F)F)NC(=O)NC5=CC=C(C=C5)OC Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BURH65 7-(3-Hydroxypropyl)-7H-adenine Investigative 44572470 C8H11N5O 193.21 C1=NC(=C2C(=N1)N=CN2CCCO)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BVKW91 5-N,7-N-Bis[(4-fluorophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine Investigative 127036977 C22H17F2N7O 433.4 C1=COC(=C1)C2=NN3C(=N2)N=C(N=C3NCC4=CC=C(C=C4)F)NCC5=CC=C(C=C5)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BVO1B6 N-Benzoyl-N-[4-chloro-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzamide Investigative 76317723 C24H22ClN5O2 447.9 CC(C)(C)CN1C=C2C(=N1)N=C(N=C2Cl)N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BW26SF 7-Chloro-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 127045166 C11H14ClN5OS 299.78 C1COCCN1CCNC2=NC3=C(S2)N=CN=C3Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BWN7U3 8-Hydroxy-3-(4-bromo-2-thienyl)-2H-1-benzopyran-2-one Investigative 127051231 C13H7BrO3S 323.16 C1=CC2=C(C(=C1)O)OC(=O)C(=C2)C3=CC(=CS3)Br Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BWZ0E8 [8-Acetyloxy-3-(4-bromothiophen-2-yl)-2-oxochromen-7-yl] acetate Investigative 23371944 C17H11BrO6S 423.2 CC(=O)OC1=C(C2=C(C=C1)C=C(C(=O)O2)C3=CC(=CS3)Br)OC(=O)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BX8D0H 9-[(2-Fluorophenyl)methyl]-N-methylpurin-6-amine;methanesulfonic acid Investigative 44295018 C14H16FN5O3S 353.37 CNC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3F.CS(=O)(=O)O IC50 ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BXU0P8 7-(2-Hydroxyethyl)adenine Investigative 11019436 C7H9N5O 179.18 C1=NC(=C2C(=N1)N=CN2CCO)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BY1TD5 1,3-Dimethyl-8-[3-methoxy-4-(2-piperidin-1-ylethoxy)-phenyl]xanthine Investigative 42631614 C21H27N5O4 413.5 CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=C(C=C3)OCCN4CCCCC4)OC Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BY4GM1 Ethyl 6-[(3,4-dichlorobenzoyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732300 C23H19Cl2N5O3 484.3 CCOC(=O)C1=NC(=NC2=NN(C=C12)CCC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BY8O7R (8-Acetyloxy-2-oxo-3-thiophen-2-ylchromen-7-yl) acetate Investigative 127051850 C17H12O6S 344.3 CC(=O)OC1=C(C2=C(C=C1)C=C(C(=O)O2)C3=CC=CS3)OC(=O)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BY96EM Ethyl 2-methyl-6-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732288 C17H14F3N5O3 393.32 CCOC(=O)C1=NC(=NC2=NN(C=C12)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BZ1UE3 N-(4-Methylphenyl)-7-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine Investigative 127044514 C16H17N5S 311.4 CC1=CC=C(C=C1)NC2=NC3=C(N=CN=C3S2)N4CCCC4 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor BZD73I Ethyl 2-methyl-6-[(4-methylbenzoyl)amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate Investigative 118732289 C17H17N5O3 339.3 CCOC(=O)C1=NC(=NC2=NN(C=C12)C)NC(=O)C3=CC=C(C=C3)C Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D02XPR (S)-DHPA Investigative 73124 C8H11N5O2 209.21 C1=NC(=C2C(=N1)N(C=N2)C[C@@H](CO)O)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D02ZZQ 8-Hydroxy-5,7,9-trimethyl-delta-carboline Investigative 44567454 C14H14N2O 226.27 CC1=CC2=C(C(=C1O)C)C3=C(N2C)C=CC=N3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D04YUM 9-Butyl-9H-adenine Investigative 75929 C9H13N5 191.23 CCCCN1C=NC2=C(N=CN=C21)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0A0VT 7-Propyl-7H-adenine Investigative 44572291 C8H11N5 177.21 CCCN1C=NC2=NC=NC(=C21)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0C1PS 9-(3-Hydroxypropyl)-9H-adenine Investigative 12486289 C8H11N5O 193.21 C1=NC(=C2C(=N1)N(C=N2)CCCO)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0E2FV 9-Phenylethyl-9H-adenine Investigative 309375 C13H13N5 239.28 C1=CC=C(C=C1)CCN2C=NC3=C(N=CN=C32)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0E4UT 9-But-3-enyl-9H-adenine Investigative 13789211 C9H11N5 189.22 C=CCCN1C=NC2=C(N=CN=C21)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0E5QE 8-Hydroxy-7,9-dimethyl-delta-carboline Investigative 25113696 C13H12N2O 212.25 CC1=CC2=C(C(=C1O)C)C3=C(N2)C=CC=N3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0F8CV DAMGO Investigative 5462471 C26H35N5O6 513.6 C[C@H](C(=O)NCC(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)NCCO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0K5WC 6-Hydroxy-5,7-dimethyl-beta-carboline Investigative 44567438 C13H12N2O 212.25 CC1=CC2=C(C(=C1O)C)C3=C(N2)C=NC=C3 Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0OR5V 9-Cyclopropyl-9H-adenine Investigative 414708 C8H9N5 175.19 C1CC1N2C=NC3=C(N=CN=C32)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0RN5A [3H]naloxone Investigative 5284596 C19H21NO4 327.4 C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O Ki ~ 50000 nM Poor binder T92072 Adenosine A1 receptor D0S4JI 9-BENZYL-9H-ADENINE Investigative 20262 C12H11N5 225.25 C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0V7MX 9-Cycloheptyl-9H-adenine Investigative 247678 C12H17N5 231.3 C1CCCC(CC1)N2C=NC3=C(N=CN=C32)N Ki ~ 100000 nM Poor binder T92072 Adenosine A1 receptor D0Y5TL ALLOXAZINE Investigative 5372720 C10H6N4O2 214.18 C1=CC=C2C(=C1)N=C3C(=N2)NC(=O)NC3=O Ki ~ 100000 nM Poor binder