TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T90782 P2Y purinoceptor 6 D02LMZ ATPase Phase 2 5957 C10H16N5O13P3 507.18 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B0LO2I Azane;tert-butyl [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate Investigative 44627693 C13H25N3O12P2 477.3 CC(C)(C)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O.N EC50 = 108000 nM Poor binder T90782 P2Y purinoceptor 6 B0QIS4 ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-(methylamino)-4-oxopyrimidin-1(4H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate Investigative 52952496 C10H16N3O8P 337.22 CNC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B2M1IU 1-(beta-D-Ribofuranosyl)-2-thio-uracil-5'-phosphate Investigative 3081495 C9H13N2O8PS 340.25 C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B2R5KC 5'-Uridylic acid, 3-(2-oxo-2-phenylethyl)- Investigative 11993885 C17H19N2O10P 442.3 C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B2UYE3 2-Propylthio-1-beta-D-ribofuranosylpyramidine-4-one-5''-diphosphate Investigative 52952281 C12H20N2O11P2S 462.31 CCCSC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B4RKF7 2-Ethylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate Investigative 52952395 C11H17N2O8PS 368.3 CCSC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B8DQ4J 2-Methylamino-1-beta-D-ribofuranosylpyrimidine-4-one-5''-diphosphate Investigative 52952393 C10H17N3O11P2 417.2 CNC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B96QSU 2-Amino-1-beta-D-ribofuranosylpyrimidine-4-one-5''-diphosphate Investigative 52952392 C9H15N3O11P2 403.18 C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B98FSH 6-Propyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-triphosphate Investigative 11995643 C12H21N2O15P3 526.22 CCCC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 B9AI7N 6-Propyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-monophosphate Investigative 11993887 C12H19N2O9P 366.26 CCCC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BAJ0O1 [(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Investigative 5311303 C11H17N5O9P2 425.23 CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BCAH82 2-Benzylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate Investigative 52952397 C16H19N2O8PS 430.4 C1=CC=C(C=C1)CSC2=NC(=O)C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BD4HU2 [(1R,2R,4S,5S)-4-[2-Chloro-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate Investigative 76324375 C13H18ClN5O8P2 469.71 CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3C[C@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BEJ6C5 2-Phenylethylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate Investigative 52952494 C17H21N2O8PS 444.4 C1=CC=C(C=C1)CCSC2=NC(=O)C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BHK63Q [[(3Ar,4R,6R,6aR)-4-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Investigative 11994005 C12H20N2O17P4 588.19 CCCC1=CC(=O)N(C(=O)N1)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O3)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BIH28N N(3)-Methyluridine 5'-monophosphate Investigative 44602426 C10H15N2O9P 338.21 CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BP15EI Tetrasodium;4-[[3-formyl-4-hydroxy-5-methyl-2-(phosphonatooxymethyl)phenyl]diazenyl]benzene-1,3-disulfonate Investigative 136169604 C15H11N2Na4O12PS2 598.3 CC1=CC(=C(C(=C1O)C=O)COP(=O)([O-])[O-])N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] IC50 = 69000 nM Poor binder T90782 P2Y purinoceptor 6 BPV58Q 1-beta-D-Ribofuranosyl(3H)pyrimidine-2,4,6-trione 5''-triphosphate Investigative 11995641 C9H15N2O16P3 500.14 C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BSP1C0 2-Methylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate Investigative 52952394 C10H15N2O8PS 354.28 CSC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BT7S5N 4-Thiouridine-5'-monophosphate Investigative 16655024 C9H13N2O8PS 340.25 C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BV4DJ5 ({[({[(2R,3S,4R,5R)-4-Amino-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid Investigative 11525909 C9H16N3O14P3 483.16 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BW35GD Sodium;1-amino-9,10-dioxo-4-[4-(pyridin-3-ylmethylsulfanyl)anilino]anthracene-2-sulfonate Investigative 137641946 C26H18N3NaO5S2 539.6 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)SCC5=CN=CC=C5)S(=O)(=O)[O-])N.[Na+] IC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BW4I9P [[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate Investigative 71459956 C18H29N4O32P7 1030.2 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3[C@@H]([C@@H]([C@H](O3)N4C=CC(=O)NC4=O)O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BW5RX8 6-Methyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-monophosphate Investigative 44417704 C10H15N2O9P 338.21 CC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 BWN7M4 Cytidine-5'-diphosphate Investigative 6132 C9H15N3O11P2 403.18 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O EC50 = 88000 nM Poor binder T90782 P2Y purinoceptor 6 BZA24N Disodium;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfonato phosphate Investigative 122185421 C9H11N2Na2O12PS 448.21 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OS(=O)(=O)[O-])O)O.[Na+].[Na+] IC50 = 112000 nM Poor binder T90782 P2Y purinoceptor 6 D01ZZJ 2-amino-uridine-5'-monophosphate Investigative 49867142 C9H14N3O8P 323.2 C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T90782 P2Y purinoceptor 6 D08DXA Acid blue 25 Investigative 23675622 C20H13N2NaO5S 416.4 C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+] IC50 = 84600 nM Poor binder T90782 P2Y purinoceptor 6 D0P0EP 6-Hydroxyuridine-5'-Phosphate Investigative 161647 C9H13N2O10P 340.18 C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O EC50 ~ 100000 nM Poor binder