TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T04820 Plasmodium CDK Pfmrk D09EGZ Chloroquine Approved 2719 C18H26ClN3 319.9 CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl IC50 = 150000 nM Poor binder T04820 Plasmodium CDK Pfmrk D0L4FS Genistein Phase 2 5280961 C15H10O5 270.24 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O IC50 = 93000 nM Poor binder T04820 Plasmodium CDK Pfmrk B0YSL4 1-(4-Methoxyphenyl)-3-(1-naphthyl)prop-2-en-1-one Investigative 5708687 C20H16O2 288.3 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC3=CC=CC=C32 IC50 ~ 100000 nM Poor binder T04820 Plasmodium CDK Pfmrk B62JNG 7-Hydroxy-10H-11-oxa-10-aza-benzo[b]fluoren-5-one Investigative 11989520 C15H9NO3 251.24 C1=CC=C2C(=C1)C3=C(O2)NC4=C(C3=O)C=C(C=C4)O IC50 = 187000 nM Poor binder T04820 Plasmodium CDK Pfmrk B6C7XF 3-(Naphthalen-1-yl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one Investigative 44419434 C22H20O4 348.4 COC1=C(C(=C(C=C1)C(=O)/C=C/C2=CC=CC3=CC=CC=C32)OC)OC IC50 = 50000 nM Poor binder T04820 Plasmodium CDK Pfmrk B7RUG8 4-(3-(4-Chlorophenyl)acryloyl)benzonitrile Investigative 24426485 C16H10ClNO 267.71 C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)C#N)Cl IC50 ~ 100000 nM Poor binder T04820 Plasmodium CDK Pfmrk B7VEC4 1H-Indole-2(3H)-one, 3-(4-trifluoromethylbenzylidene)- Investigative 5378325 C16H10F3NO 289.25 C1=CC=C2C(=C1)/C(=C\\C3=CC=C(C=C3)C(F)(F)F)/C(=O)N2 IC50 = 138000 nM Poor binder T04820 Plasmodium CDK Pfmrk B81WKZ N-(4-Chloro-2-methyl-phenyl)-3-nitro-benzamide Investigative 779201 C14H11ClN2O3 290.7 CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] IC50 = 69000 nM Poor binder T04820 Plasmodium CDK Pfmrk B8UA1D N,N''-(2,4,6-Trimethyl-1,3-phenylene)bis(4-bromobenzenesulfonamide) Investigative 49798456 C21H20Br2N2O4S2 588.3 CC1=CC(=C(C(=C1NS(=O)(=O)C2=CC=C(C=C2)Br)C)NS(=O)(=O)C3=CC=C(C=C3)Br)C IC50 = 50200 nM Poor binder T04820 Plasmodium CDK Pfmrk B8WE4K 5-Bromo-3-(2-oxo-2-p-tolyl-ethylidene)-1,3-dihydro-indol-2-one Investigative 44350563 C17H12BrNO2 342.2 CC1=CC=C(C=C1)C(=O)/C=C/2\\C3=C(C=CC(=C3)Br)NC2=O IC50 = 120000 nM Poor binder T04820 Plasmodium CDK Pfmrk BB10NW Ethyl 2-chloro-5-nitrobenzoate Investigative 2774222 C9H8ClNO4 229.62 CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl IC50 = 87000 nM Poor binder T04820 Plasmodium CDK Pfmrk BCT59S Ethyl 2-(3-nitrobenzoyl)-3-(pyridin-2-yl)acrylate Investigative 44592001 C17H14N2O5 326.3 CCOC(=O)/C(=C\\C1=CC=CC=N1)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-] IC50 = 61000 nM Poor binder T04820 Plasmodium CDK Pfmrk BDP68L (3Z)-3-[2-(4-Bromophenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one Investigative 947949 C16H10BrNO2 328.16 C1=CC=C2C(=C1)/C(=C/C(=O)C3=CC=C(C=C3)Br)/C(=O)N2 IC50 = 130000 nM Poor binder T04820 Plasmodium CDK Pfmrk BF7MQ0 5-Bromo-3-(2-oxo-2-phenylethylidene)-1,3-dihydroindol-2-one Investigative 5477132 C16H10BrNO2 328.16 C1=CC=C(C=C1)C(=O)/C=C\\2/C3=C(C=CC(=C3)Br)NC2=O IC50 = 120000 nM Poor binder T04820 Plasmodium CDK Pfmrk BIA7P3 2,2-Dichloro-N-(2,5-dichlorothiophen-3-ylsulfonyl)-N-p-tolylacetamide Investigative 49798553 C13H9Cl4NO3S2 433.2 CC1=CC=C(C=C1)N(C(=O)C(Cl)Cl)S(=O)(=O)C2=C(SC(=C2)Cl)Cl IC50 = 127200 nM Poor binder T04820 Plasmodium CDK Pfmrk BKA52C (Z)-2-(4-Nitro-benzoyl)-3-pyridin-2-yl-acrylic acid ethyl ester Investigative 44396824 C17H14N2O5 326.3 CCOC(=O)/C(=C\\C1=CC=CC=N1)/C(=O)C2=CC=C(C=C2)[N+](=O)[O-] IC50 = 61000 nM Poor binder T04820 Plasmodium CDK Pfmrk BL6IA2 3-[(Methylamino)methylidene]-1,3-dihydro-2H-indol-2-one Investigative 135959419 C10H10N2O 174.2 CN=CC1=C(NC2=CC=CC=C21)O IC50 ~ 57000 nM Poor binder T04820 Plasmodium CDK Pfmrk BO5X0M (3-Oxo-1-phenyl-1,3-dihydro-isobenzofuran-1-yl)-thiourea Investigative 44396873 C15H12N2O2S 284.3 C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)NC(=S)N IC50 = 70000 nM Poor binder T04820 Plasmodium CDK Pfmrk BO8N9G (3E)-5-Bromo-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one Investigative 6918711 C16H9BrFNO2 346.15 C1=CC(=CC=C1C(=O)/C=C/2\\C3=C(C=CC(=C3)Br)NC2=O)F IC50 = 190000 nM Poor binder T04820 Plasmodium CDK Pfmrk BP46XY 3-[(E)-beta-Oxophenethylidene]indoline-2-one Investigative 682361 C16H11NO2 249.26 C1=CC=C(C=C1)C(=O)/C=C/2\\C3=CC=CC=C3NC2=O IC50 = 150000 nM Poor binder T04820 Plasmodium CDK Pfmrk BR1N4H 3-(2-Oxo-1,2-dihydroquinoline-3-yl)phenoxyacetic acid Investigative 44329224 C17H13NO4 295.29 C1=CC=C2C(=C1)C=C(C(=O)N2)C3=CC(=CC=C3)OCC(=O)O IC50 = 102000 nM Poor binder T04820 Plasmodium CDK Pfmrk BUV2H3 2-Hydrazino-3-(1H-indol-3-yl)-propionic acid Investigative 13717983 C11H13N3O2 219.24 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NN IC50 = 182000 nM Poor binder T04820 Plasmodium CDK Pfmrk BW54CT 1-(2,4-Dimethoxyphenyl)-3-(naphthalen-2-yl)prop-2-en-1-one Investigative 6476742 C21H18O3 318.4 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC3=CC=CC=C3C=C2)OC IC50 = 100000 nM Poor binder T04820 Plasmodium CDK Pfmrk D02NGU H-8 Investigative 3540 C12H15N3O2S 265.33 CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2 IC50 = 70000 nM Poor binder T04820 Plasmodium CDK Pfmrk D0H3EV 9-Nitropaullone Investigative 5005498 C16H11N3O3 293.28 C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-] IC50 = 51000 nM Poor binder T04820 Plasmodium CDK Pfmrk D0KH5T 4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline Investigative 5687 C16H15N3O3 297.31 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)O)OC IC50 = 168000 nM Poor binder T04820 Plasmodium CDK Pfmrk D0T3PW Myricetin Investigative 5281672 C15H10O8 318.23 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O IC50 = 157000 nM Poor binder