TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T93515 P2Y purinoceptor 2 D0H2UB Suramin Phase 1 5361 C51H40N6O23S6 1297.3 CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C IC50 = 50000 nM Poor binder T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 B2SEM0 6-Propyl-3-beta-D-ribofuranosyl(1H)pyrimidine-2,4-dione 5''-diphosphate Investigative 11994013 C12H20N2O12P2 446.24 CCCC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T93515 P2Y purinoceptor 2 B5LRM4 Diadenosine tetraphosphate Investigative 21706 C20H28N10O19P4 836.4 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)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N EC50 = 81000 nM Poor binder T93515 P2Y purinoceptor 2 B94SGX CID 70692052 Investigative 70692052 C68H135BN14O18P4 1571.6 [B]P(=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC EC50 = 64200 nM Poor binder T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 BB81PI Trypan blue Investigative 6296 C34H24N6Na4O14S4 960.8 CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+] IC50 = 171000 nM Poor binder T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 BE62TD Chembl4215280 Investigative 145971828 C18H22ClNO5 367.8 CCCCCCOC1=CC2=C(C(=C1)Cl)C(=C(N2)C(=O)O)CCC(=O)O EC50 ~ 50000 nM Poor binder T93515 P2Y purinoceptor 2 BG9AM0 CID 70694094 Investigative 70694094 C67H134BN11O20P4 1548.6 [B]P(=O)(OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC EC50 = 64200 nM Poor binder T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 BJ4W0L N,4-Dimethyl-N-(2-(thiophene-3-carbonyl)phenyl)benzenesulfonamide Investigative 46225413 C19H17NO3S2 371.5 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)C3=CSC=C3 IC50 ~ 60000 nM Poor binder T93515 P2Y purinoceptor 2 BQX4F5 Hexasodium;8-[[4-fluoro-3-[[3-[[3-[[2-fluoro-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Investigative 11636756 C49H28F2N6Na6O23S6 1437.1 C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C5C(=CC(=CC5=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])F)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])F.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] IC50 = 169824.37 nM Poor binder T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 BWZ3I1 [(4-Methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine Investigative 3453336 C26H28N2O4S2 496.6 CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2N(CC=C)S(=O)(=O)C3=CC=C(C=C3)C IC50 ~ 60000 nM Poor binder T93515 P2Y purinoceptor 2 BZA14G n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide) Investigative 265219 C22H24N2O4S2 444.6 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C IC50 ~ 60000 nM Poor binder T93515 P2Y purinoceptor 2 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 T93515 P2Y purinoceptor 2 D02HAL Uridine-5'-Diphosphate Investigative 6031 C9H14N2O12P2 404.16 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O EC50 ~ 100000 nM Poor binder T93515 P2Y purinoceptor 2 D05NWF adenosine diphosphate Investigative 6022 C10H15N5O10P2 427.2 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N EC50 ~ 100000 nM Poor binder T93515 P2Y purinoceptor 2 D0BB0O 2MeSADP Investigative 121990 C11H17N5O10P2S 473.3 CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N EC50 ~ 100000 nM Poor binder T93515 P2Y purinoceptor 2 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