TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T46937 P2Y purinoceptor 12 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 IC50 = 251188.64 nM Non binder T46937 P2Y purinoceptor 12 B09FQD (4-Nitrobenzotriazol-1-yl)-phenylmethanone Investigative 137650737 C13H8N4O3 268.23 C1=CC=C(C=C1)C(=O)N2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2 IC50 = 650000 nM Non binder T46937 P2Y purinoceptor 12 B0H8GU 1-(4-Methylphenyl)sulfonyl-4-nitrobenzotriazole Investigative 137644622 C13H10N4O4S 318.31 CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2 IC50 = 860000 nM Non binder T46937 P2Y purinoceptor 12 B1H6AG 2-Butyl-4-nitrobenzotriazole Investigative 137651269 C10H12N4O2 220.23 CCCCN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] IC50 = 1070000 nM Non binder T46937 P2Y purinoceptor 12 B1UIW7 2-Ethyl-4-nitrobenzotriazole Investigative 137649986 C8H8N4O2 192.17 CCN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] IC50 = 1620000 nM Non binder T46937 P2Y purinoceptor 12 B2U0AQ 4-Nitro-1H-1,2,3-benzotriazole Investigative 80533 C6H4N4O2 164.12 C1=CC2=NNN=C2C(=C1)[N+](=O)[O-] IC50 = 2060000 nM Non binder T46937 P2Y purinoceptor 12 B3ISY7 2-Benzyl-4-nitrobenzotriazole Investigative 51032397 C13H10N4O2 254.24 C1=CC=C(C=C1)CN2N=C3C=CC=C(C3=N2)[N+](=O)[O-] IC50 = 820000 nM Non binder T46937 P2Y purinoceptor 12 B48GPW 4-Nitro-2-pentylbenzotriazole Investigative 137639442 C11H14N4O2 234.25 CCCCCN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] IC50 = 1020000 nM Non binder T46937 P2Y purinoceptor 12 B7NQ3E 4-Nitro-2-propylbenzotriazole Investigative 137635690 C9H10N4O2 206.2 CCCN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] IC50 = 1320000 nM Non binder T46937 P2Y purinoceptor 12 B85TQO 4-Nitro-1-propylbenzotriazole Investigative 85909513 C9H10N4O2 206.2 CCCN1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1 IC50 = 1300000 nM Non binder T46937 P2Y purinoceptor 12 B8IGN1 4-Nitro-1-octylbenzotriazole Investigative 137631406 C14H20N4O2 276.33 CCCCCCCCN1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1 IC50 = 940000 nM Non binder T46937 P2Y purinoceptor 12 BC13ZD 2-(3-Chloropropyl)-4-nitrobenzotriazole Investigative 137634506 C9H9ClN4O2 240.64 C1=CC2=NN(N=C2C(=C1)[N+](=O)[O-])CCCCl IC50 = 1260000 nM Non binder T46937 P2Y purinoceptor 12 BC3H4K 1-Benzyl-4-nitrobenzotriazole Investigative 20300396 C13H10N4O2 254.24 C1=CC=C(C=C1)CN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2 IC50 = 810000 nM Non binder T46937 P2Y purinoceptor 12 BDIF98 2-Methyl-4-nitrobenzotriazole Investigative 4603056 C7H6N4O2 178.15 CN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] IC50 = 1960000 nM Non binder T46937 P2Y purinoceptor 12 BGN75O 1-Butyl-4-nitrobenzotriazole Investigative 85909522 C10H12N4O2 220.23 CCCCN1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1 IC50 = 1050000 nM Non binder T46937 P2Y purinoceptor 12 BJW3N2 2-Hexyl-4-nitrobenzotriazole Investigative 137642967 C12H16N4O2 248.28 CCCCCCN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] IC50 = 940000 nM Non binder T46937 P2Y purinoceptor 12 BMD86N 1-Methyl-7-nitrobenzotriazole Investigative 601138 C7H6N4O2 178.15 CN1C2=C(C=CC=C2[N+](=O)[O-])N=N1 IC50 = 1800000 nM Non binder T46937 P2Y purinoceptor 12 BN8T2M Tetrasodium;[chloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl]methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyphosphinate Investigative 127041006 C23H29ClN10Na4O16P4S2 1017 CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)([O-])OP(=O)(C(P(=O)([O-])OP(=S)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)NC)O)O)Cl)[O-])O)O.[Na+].[Na+].[Na+].[Na+] IC50 > 200000 nM Non binder T46937 P2Y purinoceptor 12 BNK61A 1-Ethyl-4-nitrobenzotriazole Investigative 137656414 C8H8N4O2 192.17 CCN1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1 IC50 = 1500000 nM Non binder T46937 P2Y purinoceptor 12 BONS45 Adenosine 5'-[dichloro-[beta,gamma-methylene]triphosphoric acid] Investigative 10438063 C11H16Cl2N5O12P3 574.1 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O)N IC50 = 316227.77 nM Non binder T46937 P2Y purinoceptor 12 BPX73H 1H-Benzotriazole Investigative 7220 C6H5N3 119.12 C1=CC2=NNN=C2C=C1 IC50 = 7430000 nM Non binder T46937 P2Y purinoceptor 12 BRW52P 1-(3-Chloropropyl)-4-nitrobenzotriazole Investigative 137652006 C9H9ClN4O2 240.64 C1=CC2=C(C(=C1)[N+](=O)[O-])N=NN2CCCCl IC50 = 910000 nM Non binder T46937 P2Y purinoceptor 12 BS2WD5 4-Nitro-2-octylbenzotriazole Investigative 137652138 C14H20N4O2 276.33 CCCCCCCCN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] IC50 = 920000 nM Non binder T46937 P2Y purinoceptor 12 BTR60W 2-Heptyl-4-nitrobenzotriazole Investigative 137651373 C13H18N4O2 262.31 CCCCCCCN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] IC50 = 930000 nM Non binder T46937 P2Y purinoceptor 12 BU4TY6 1-Methyl-4-nitrobenzotriazole Investigative 601157 C7H6N4O2 178.15 CN1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1 IC50 = 1840000 nM Non binder T46937 P2Y purinoceptor 12 BU5KE2 1-Heptyl-4-nitrobenzotriazole Investigative 137651603 C13H18N4O2 262.31 CCCCCCCN1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1 IC50 = 950000 nM Non binder T46937 P2Y purinoceptor 12 BVHK79 4-Nitro-1-pentylbenzotriazole Investigative 70618043 C11H14N4O2 234.25 CCCCCN1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1 IC50 = 1070000 nM Non binder T46937 P2Y purinoceptor 12 BZLH67 1-Hexyl-4-nitrobenzotriazole Investigative 137654461 C12H16N4O2 248.28 CCCCCCN1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1 IC50 = 1040000 nM Non binder