TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T30372 Trypanosoma Cruzipain D0AZ3C Imatinib Approved 5291 C29H31N7O 493.6 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 IC50 = 207000 nM Non binder T30372 Trypanosoma Cruzipain D0BP9C Etravirine Approved 193962 C20H15BrN6O 435.3 CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N IC50 > 200000 nM Non binder T30372 Trypanosoma Cruzipain B13CKZ 5-[(E)-[(3-Nitrobenzoyl)hydrazinylidene]methyl]furan-2-carboxylic acid Investigative 44285453 C13H9N3O6 303.23 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N/N=C/C2=CC=C(O2)C(=O)O IC50 = 3020000000000 nM Non binder T30372 Trypanosoma Cruzipain B1KY2S N-[(E)-Furan-3-ylmethylideneamino]-2,4-dimethoxybenzamide Investigative 44285357 C14H14N2O4 274.27 COC1=CC(=C(C=C1)C(=O)N/N=C/C2=COC=C2)OC IC50 = 6030000000000 nM Non binder T30372 Trypanosoma Cruzipain B1O5GS 3-Hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]naphthalene-2-carboxamide Investigative 6898835 C16H11N3O5 325.27 C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-])O IC50 = 166000000000000 nM Non binder T30372 Trypanosoma Cruzipain B1QPS5 {[(Benzylsulfonyl)amino]methyl}boronic Acid Investigative 49837085 C8H12BNO4S 229.07 B(CNS(=O)(=O)CC1=CC=CC=C1)(O)O IC50 > 500000 nM Non binder T30372 Trypanosoma Cruzipain B1Z8DJ Potassium O-(octahydro-4,7-methano-1H-inden-5-yl) dithiocarbonate Investigative 4234241 C11H15KOS2 266.5 C1CC2C(C1)C3CC2CC3OC(=S)[S-].[K+] IC50 > 600000 nM Non binder T30372 Trypanosoma Cruzipain B23WMV 3-Nitro-N'-({5-nitro-2-furyl}methylene)benzohydrazide Investigative 6893983 C12H8N4O6 304.21 C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-] IC50 = 200000000000000 nM Non binder T30372 Trypanosoma Cruzipain B2MS7J 2-[1-Carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid Investigative 3239413 C18H13NO7 355.3 C1=CC(=CC=C1CC(C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)O IC50 > 10000000 nM Non binder T30372 Trypanosoma Cruzipain B5ECQ9 N-[(E)-(4-Bromothiophen-2-yl)methylideneamino]quinoline-3-carboxamide Investigative 44285294 C15H10BrN3OS 360.2 C1=CC=C2C(=C1)C=C(C=N2)C(=O)N/N=C/C3=CC(=CS3)Br IC50 = 33100000000000 nM Non binder T30372 Trypanosoma Cruzipain B82SIA Sporanox Investigative 3793 C35H38Cl2N8O4 705.6 CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl IC50 > 200000 nM Non binder T30372 Trypanosoma Cruzipain B8ZC1O N-[(E)-[4-(Dimethylamino)naphthalen-1-yl]methylideneamino]-3,4-dihydroxybenzamide Investigative 44285306 C20H19N3O3 349.4 CN(C)C1=CC=C(C2=CC=CC=C21)/C=N/NC(=O)C3=CC(=C(C=C3)O)O IC50 = 61700000000000 nM Non binder T30372 Trypanosoma Cruzipain B9F1HU 2-Hydroxy-benzoic acid [5-(4-chloro-phenyl)-furan-2-ylmethylene]-hydrazide Investigative 6868805 C18H13ClN2O3 340.8 C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)O IC50 = 10000000000000 nM Non binder T30372 Trypanosoma Cruzipain B9NR0Y Chembl4208600 Investigative 145963780 C24H27N3O4 421.5 CNC(=O)/C=C/C1(CC1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 Ki = 398107.17 nM Non binder T30372 Trypanosoma Cruzipain BD25VN 3-Hydroxy-7-methoxy-N-[(E)-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methylideneamino]naphthalene-2-carboxamide Investigative 10480017 C22H17F3N4O3S 474.5 CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)/C=N/NC(=O)C3=C(C=C4C=CC(=CC4=C3)OC)O IC50 = 5010000000000000 nM Non binder T30372 Trypanosoma Cruzipain BD9KB8 Amiodarone hydrochloride Investigative 441325 C25H30ClI2NO3 681.8 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl IC50 = 206000 nM Non binder T30372 Trypanosoma Cruzipain BE0TY7 Menatetrenone Investigative 5282367 C31H40O2 444.6 CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C IC50 > 200000 nM Non binder T30372 Trypanosoma Cruzipain BFN59Z 3,7-Bis(4-methoxybenzoyl)-1-methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one Investigative 1305492 C27H32N2O5 464.6 CCCC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC=C(C=C3)OC)C)C(=O)C4=CC=C(C=C4)OC IC50 > 600000 nM Non binder T30372 Trypanosoma Cruzipain BH2U9C [(2,5-Dichlorophenyl)carbamoyl]methyl 3-methylbenzoate Investigative 1670121 C16H13Cl2NO3 338.2 CC1=CC(=CC=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl IC50 > 200000 nM Non binder T30372 Trypanosoma Cruzipain BH4T7Z 5-[(E)-[(3,5-Dimethoxybenzoyl)hydrazinylidene]methyl]furan-2-carboxylic acid Investigative 44285805 C15H14N2O6 318.28 COC1=CC(=CC(=C1)C(=O)N/N=C/C2=CC=C(O2)C(=O)O)OC IC50 = 100000000000000 nM Non binder T30372 Trypanosoma Cruzipain BH8EC7 2-Hydroxy-N'-{(E)-[5-(2-nitrophenyl)furan-2-yl]methylidene}benzohydrazide Investigative 6868806 C18H13N3O5 351.3 C1=CC=C(C(=C1)C2=CC=C(O2)/C=N/NC(=O)C3=CC=CC=C3O)[N+](=O)[O-] IC50 = 50100000000000 nM Non binder T30372 Trypanosoma Cruzipain BKN21G 2-Hydroxy-3-methyl-N-[(E)-(5-methylsulfanylthiophen-2-yl)methylideneamino]benzamide Investigative 44285853 C14H14N2O2S2 306.4 CC1=C(C(=CC=C1)C(=O)N/N=C/C2=CC=C(S2)SC)O IC50 = 100000000000000 nM Non binder T30372 Trypanosoma Cruzipain BL03JX N-[(E)-[5-(2-Chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide Investigative 44285654 C22H15ClN2O3 390.8 C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=CC=C(O3)C4=CC=CC=C4Cl)O IC50 = 1660000000000000 nM Non binder T30372 Trypanosoma Cruzipain BLF45G 2-(2,5-Dichlorophenylamino)-2-oxoethyl picolinate Investigative 1088642 C14H10Cl2N2O3 325.1 C1=CC=NC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl IC50 > 200000 nM Non binder T30372 Trypanosoma Cruzipain BOC0A6 2-(2,5-Dimethyl-pyrrol-1-yl)-3-phenyl-propionic acid Investigative 654761 C15H17NO2 243.3 CC1=CC=C(N1C(CC2=CC=CC=C2)C(=O)O)C IC50 > 600000 nM Non binder T30372 Trypanosoma Cruzipain BPM0W5 2-Hydroxy-N'-[(E)-quinolin-4-ylmethylidene]benzohydrazide Investigative 6891142 C17H13N3O2 291.3 C1=CC=C2C(=C1)C(=CC=N2)/C=N/NC(=O)C3=CC=CC=C3O IC50 = 33100000000000 nM Non binder T30372 Trypanosoma Cruzipain BQ8VY5 N-[(E)-[5-(3-Nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide Investigative 44285672 C22H15N3O4 385.4 C1=CC=C2C=C(C=CC2=C1)C(=O)N/N=C/C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] IC50 = 166000000000000 nM Non binder T30372 Trypanosoma Cruzipain BRAT36 N-[(E)-[4-(Dimethylamino)naphthalen-1-yl]methylideneamino]quinoline-4-carboxamide Investigative 44285321 C23H20N4O 368.4 CN(C)C1=CC=C(C2=CC=CC=C21)/C=N/NC(=O)C3=CC=NC4=CC=CC=C34 IC50 = 166000000000000 nM Non binder T30372 Trypanosoma Cruzipain BTJZ82 N-[(E)-[4-(Dimethylamino)naphthalen-1-yl]methylideneamino]benzamide Investigative 44285305 C20H19N3O 317.4 CN(C)C1=CC=C(C2=CC=CC=C21)/C=N/NC(=O)C3=CC=CC=C3 IC50 = 2000000000000000 nM Non binder T30372 Trypanosoma Cruzipain BTMB89 4-({[(Dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic Acid Investigative 49837191 C9H12BNO6S 273.08 B(CNS(=O)(=O)CC1=CC=C(C=C1)C(=O)O)(O)O IC50 > 500000 nM Non binder