TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T37848 Albendazole monooxygenase D07JJS Sulfamethizole Approved 5328 C9H10N4O2S2 270.3 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N IC50 = 835603.02 nM Non binder T37848 Albendazole monooxygenase D09EGZ Chloroquine Approved 2719 C18H26ClN3 319.9 CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl IC50 = 349945.17 nM Non binder T37848 Albendazole monooxygenase D09GOS Clotrimazole Approved 2812 C22H17ClN2 344.8 C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4 IC50 > 500000 nM Non binder T37848 Albendazole monooxygenase B21GIM CID 71621800 Investigative 71621800 C24H14F7N5O 521.4 C1=CC(=CC=C1C#CC2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)C(F)(F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B29TZB 2-[1-[6-(Difluoromethoxy)naphthalen-2-yl]-2-methylpropyl]tetrazole Investigative 53247261 C16H16F2N4O 318.32 CC(C)C(C1=CC2=C(C=C1)C=C(C=C2)OC(F)F)N3N=CN=N3 IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B3P6NI 2-[1-(6,7-Dimethoxynaphthalen-2-yl)-2-methylpropyl]tetrazole Investigative 53259484 C17H20N4O2 312.37 CC(C)C(C1=CC2=CC(=C(C=C2C=C1)OC)OC)N3N=CN=N3 IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B3UK9M 1-[5-[2-[4-[[4-(2,2-Difluoroethyl)phenyl]methoxy]phenyl]ethynyl]pyridin-2-yl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol Investigative 137637143 C32H23F6N5O2 623.5 C1=CC(=CC=C1CC(F)F)COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B4QX3P Dimethyl[3-(pyridin-3-yl)prop-2-yn-1-yl]amine Investigative 10654534 C10H12N2 160.22 CN(C)CC#CC1=CN=CC=C1 Ki > 400000 nM Non binder T37848 Albendazole monooxygenase B5F6KT CID 71621495 Investigative 71621495 C31H20F4N6O2 584.5 C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=CC(=C5)F)F)O)(F)F)C#N IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B5FZD7 2-Anilinopyridine Investigative 81130 C11H10N2 170.21 C1=CC=C(C=C1)NC2=CC=CC=N2 IC50 = 430526.61 nM Non binder T37848 Albendazole monooxygenase B5OH8N CID 89619268 Investigative 89619268 C31H20F4N6O2 584.5 C1=CC(=CC(=C1)C#N)COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B6LNH2 N-Methyl-3-(3-pyridinyl)-2-propyne-1-amine Investigative 10510985 C9H10N2 146.19 CNCC#CC1=CN=CC=C1 Ki = 251000 nM Non binder T37848 Albendazole monooxygenase B6N2OM CID 71622350 Investigative 71622350 C23H14F5N5O 471.4 C1=CC(=CC(=C1)F)C#CC2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B6U4YX CID 89619504 Investigative 89619504 C31H19F5N6O2 602.5 C1=CC(=CC=C1C#CC2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC5=C(C=C(C=C5)C#N)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B7CR0X 2-Phenylimidazole Investigative 69591 C9H8N2 144.17 C1=CC=C(C=C1)C2=NC=CN2 IC50 > 500000 nM Non binder T37848 Albendazole monooxygenase B7X8QG US9144538, Clotrimazole Investigative 118402503 C22H19ClN2 346.8 C1C=CC=C(C1Cl)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4 IC50 > 500000 nM Non binder T37848 Albendazole monooxygenase B8NZ9A CID 89619265 Investigative 89619265 C31H20F7N5O3 643.5 C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F)OC(F)(F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B8PN4D 3-Hydroxypyridine Investigative 7971 C5H5NO 95.1 C1=CC(=CN=C1)O IC50 = 767361.49 nM Non binder T37848 Albendazole monooxygenase B8SDR0 2-({4-[4-(Pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline Investigative 44141871 C25H20N4O 392.5 C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=C(C=NN4)CC5=CC=NC=C5 IC50 = 450000 nM Non binder T37848 Albendazole monooxygenase B8ZAE9 5-Pyridin-3-yl-furan-2-carbaldehyde oxime Investigative 91097699 C10H8N2O2 188.18 C1=CC(=CN=C1)C2=CC=C(O2)CN=O IC50 > 400000 nM Non binder T37848 Albendazole monooxygenase B92CBY 3-(1H-Pyrazol-3-yl)pyridine Investigative 7074967 C8H7N3 145.16 C1=CC(=CN=C1)C2=CC=NN2 Ki > 400000 nM Non binder T37848 Albendazole monooxygenase B9MZG0 2-Methyl-1-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]propan-1-ol Investigative 68295900 C16H17F3O2 298.3 CC(C)C(C1=CC2=C(C=C1)C=C(C=C2)OCC(F)(F)F)O IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase B9N8ZH CID 89619334 Investigative 89619334 C31H20F7N5O2 627.5 C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F)C(F)(F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BA4Q5W CID 71621802 Investigative 71621802 C31H19F5N6O2 602.5 C1=CC(=CC=C1C#CC2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC5=CC(=C(C=C5)C#N)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BAG97E CID 71621649 Investigative 71621649 C23H14ClF4N5O 487.8 C1=CC(=CC=C1C#CC2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)Cl IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BBS2R7 Timoprazole Investigative 72171 C13H11N3OS 257.31 C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=CC=CC=N3 IC50 = 309029.54 nM Non binder T37848 Albendazole monooxygenase BC9S8V 1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone Investigative 9799417 C26H24O2 368.5 CCCCCOC1=CC=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43 IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BCWO08 3-Phenylthiophene Investigative 75473 C10H8S 160.24 C1=CC=C(C=C1)C2=CSC=C2 Ki > 400000 nM Non binder T37848 Albendazole monooxygenase BD25WR (3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine Investigative 11993870 C9H10N4 174.2 C1=CC(=CN=C1)C2=NNC(=C2)CN Ki > 400000 nM Non binder T37848 Albendazole monooxygenase BEI4G7 1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine Investigative 11993865 C9H9N3O 175.19 C1=CC(=CN=C1)C2=NOC(=C2)CN Ki > 400000 nM Non binder T37848 Albendazole monooxygenase BG8O2D N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine Investigative 11229234 C11H12N2O 188.23 CNCC1=CC=C(O1)C2=CN=CC=C2 Ki > 400000 nM Non binder T37848 Albendazole monooxygenase BGK72P Chembl4172017 Investigative 145952024 C15H16Cl3N3S 376.7 C1=CN=CC=C1C2=C(C=NC=C2)C3=CC=C(S3)CN.Cl.Cl.Cl IC50 = 214000 nM Non binder T37848 Albendazole monooxygenase BHA64M CID 71621803 Investigative 71621803 C31H20F4N6O2 584.5 C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F)C#N IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BI5HB2 CID 89634586 Investigative 89634586 C30H20F5N5O2 577.5 C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BIX6S8 (Z)-4-[5-[(2,4-Difluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid Investigative 70688283 C23H16F3NO5 443.4 C1=CC=C(C(=C1)CN2C=C(C=C(C2=O)/C(=C/C(=O)C(=O)O)/O)CC3=C(C=C(C=C3)F)F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BK36VF (NZ)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine Investigative 11355925 C10H8N2O2 188.18 C1=CC(=CN=C1)C2=CC=C(O2)/C=N\\O IC50 > 400000 nM Non binder T37848 Albendazole monooxygenase BN6A5W Tazanolast Investigative 5380 C13H15N5O3 289.29 CCCCOC(=O)C(=O)NC1=CC=CC(=C1)C2=NNN=N2 IC50 = 289734.36 nM Non binder T37848 Albendazole monooxygenase BNO8P4 CID 89619484 Investigative 89619484 C31H20F4N6O2 584.5 C1=CC(=CC=C1COC2=CC=C(C=C2)C#N)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BRI3T1 5-(3-{[1-(Benzylsulfonyl)piperidin-4-Yl]amino}phenyl)-4-Bromo-3-(Carboxymethoxy)thiophene-2-Carboxylic Acid Investigative 11786814 C25H25BrN2O7S2 609.5 C1CN(CCC1NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br)S(=O)(=O)CC4=CC=CC=C4 IC50 > 500000 nM Non binder T37848 Albendazole monooxygenase BSDY13 CID 71621494 Investigative 71621494 C31H20ClF3N6O2 601 C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)Cl)F)O)(F)F)C#N IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BV1B3U 5-Hydroxy saxagliptin Investigative 23645678 C18H25N3O3 331.4 C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)(CC(C5)(C4)O)O)N IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BV8YP7 3-(Pyridin-3-yl)propan-1-amine Investigative 13557523 C8H12N2 136.19 C1=CC(=CN=C1)CCCN Ki > 400000 nM Non binder T37848 Albendazole monooxygenase BWJ9Y1 3-(3-Methyl-1H-imidazol-4-yl)-pyridine Investigative 44388606 C9H10N3+ 160.2 C[N+]1=CNC=C1C2=CN=CC=C2 IC50 = 262000 nM Non binder T37848 Albendazole monooxygenase BXWL30 (5R)-3-[3-Fluoro-4-(1-oxidotetrahydro-2H-thiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide Investigative 23729988 C15H17FN2O4S 340.4 C1CS(=O)CCC1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)C(=O)N)F IC50 > 900000 nM Non binder T37848 Albendazole monooxygenase BY4K6H 3-Methyl-4-phenylthiophene Investigative 11993868 C11H10S 174.26 CC1=CSC=C1C2=CC=CC=C2 Ki > 400000 nM Non binder T37848 Albendazole monooxygenase BY50PD 2-(Pyridin-3-yl)pyrimidine Investigative 13349629 C9H7N3 157.17 C1=CC(=CN=C1)C2=NC=CC=N2 IC50 > 400000 nM Non binder T37848 Albendazole monooxygenase BZ6HI5 CID 71622218 Investigative 71622218 C23H14ClF4N5O 487.8 C1=CC(=CC(=C1)Cl)C#CC2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase BZD2G7 N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine Investigative 11321674 C11H12N2S 204.29 CNCC1=CC=C(S1)C2=CN=CC=C2 Ki > 400000 nM Non binder T37848 Albendazole monooxygenase D06HOI BMS-269223 Investigative 44249821 C23H28N6O3 436.5 CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase D07LMI 1-Benzyl-2-methyl-1H-imidazole Investigative 83699 C11H12N2 172.23 CC1=NC=CN1CC2=CC=CC=C2 IC50 = 307500 nM Non binder T37848 Albendazole monooxygenase D0J1QT BMS-344577 Investigative 44473100 C31H37N7O5 587.7 CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=C(C=C5)C(=O)N(C)C IC50 > 200000 nM Non binder T37848 Albendazole monooxygenase D0M0IQ Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine Investigative 11210706 C20H17N3S2 363.5 C1=CC(=CN=C1)C2=CC=C(S2)CNCC3=CC=C(S3)C4=CN=CC=C4 IC50 > 400000 nM Non binder