TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T63414 P2X purinoceptor 7 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 EC50 = 92000 nM Poor binder T63414 P2X purinoceptor 7 B0Y6ML Isoquinoline-5-sulfonic acid 4-[[3-[1-[3-(trifluoromethyl)-4-chlorobenzoyl]-4-piperidinyl]-2,5-dioxoimidazolidine-4-yl]methyl]phenyl ester Investigative 118733194 C32H26ClF3N4O6S 687.1 C1CN(CCC1N2C(C(=O)NC2=O)CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC5=C4C=CN=C5)C(=O)C6=CC(=C(C=C6)Cl)C(F)(F)F IC50 = 54000 nM Poor binder T63414 P2X purinoceptor 7 B34JCU N'-(2-Chlorophenyl)pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8-carbohydrazide Investigative 137652085 C19H17ClN2O 324.8 C1=CC=C(C(=C1)NNC(=O)C23C4C=CC5C4C6C2C=CC6C35)Cl IC50 = 96000 nM Poor binder T63414 P2X purinoceptor 7 B4CWQ3 Bz-ATP Investigative 44353592 C23H24N5O14P3 687.4 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O EC50 = 52000 nM Poor binder T63414 P2X purinoceptor 7 B5MU4A Benzo[b][1]benzazepin-11-yl(piperidin-1-yl)methanone Investigative 746996 C20H20N2O 304.4 C1CCN(CC1)C(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42 IC50 ~ 100000 nM Poor binder T63414 P2X purinoceptor 7 B92XJM N,N-Diisopropyl-5H-dibenzo[b,f]azepine-5-carboxamide Investigative 73669299 C21H24N2O 320.4 CC(C)N(C(C)C)C(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31 IC50 = 95200 nM Poor binder T63414 P2X purinoceptor 7 BF86KR N'-[2-(Trifluoromethyl)phenyl]pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8-carbohydrazide Investigative 137650645 C20H17F3N2O 358.4 C1=CC=C(C(=C1)C(F)(F)F)NNC(=O)C23C4C=CC5C4C6C2C=CC6C35 IC50 = 132000 nM Poor binder T63414 P2X purinoceptor 7 BG3WF2 Dibenzo[b,f]azepin-5-yl pyrrolidinyl ketone Investigative 779113 C19H18N2O 290.4 C1CCN(C1)C(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42 IC50 ~ 100000 nM Poor binder T63414 P2X purinoceptor 7 BL1JX8 N,N-Diethylbenzo[b][1]benzazepine-11-carboxamide Investigative 766793 C19H20N2O 292.4 CCN(CC)C(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31 IC50 = 69800 nM Poor binder T63414 P2X purinoceptor 7 BMI50L (S)-4-(2-(N-Methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate Investigative 5312126 C38H35N5O6S2 721.8 CN([C@@H](CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7 IC50 = 96000 nM Poor binder T63414 P2X purinoceptor 7 BUNY96 N,N-Dipropylbenzo[b][1]benzazepine-11-carboxamide Investigative 76324694 C21H24N2O 320.4 CCCN(CCC)C(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31 IC50 ~ 100000 nM Poor binder T63414 P2X purinoceptor 7 D00QLM [3H]alphabeta-meATP Investigative 91557 C11H18N5O12P3 505.21 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N EC50 ~ 100000 nM Poor binder T63414 P2X purinoceptor 7 D08DOG A-846714 Investigative 25130235 C16H18N6 294.35 CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=C(C=C3)C#N)N IC50 ~ 100000 nM Poor binder