TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T94400 Mycobacterium Thymidine monophosphate kinase D05RHI Trifluridine Approved 6256 C10H11F3N2O5 296.2 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O Ki = 97000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B0SE3V 5,7-Diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one Investigative 19093685 C14H18N2O 230.31 CCC1=CC2=C(C(=C(C(=O)N2)C)C)C(=N1)CC IC50 = 133000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B1PE8L 6-(2-Methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile Investigative 12412402 C14H12N2O2S 272.32 COC1=CC=CC=C1C2=CC(=C(C(=O)N2)C#N)SC IC50 ~ 50000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B48DQT (E)-3-[4-[(5-Methyl-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]prop-2-enamide Investigative 5276666 C15H15N3O3 285.3 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)/C=C/C(=O)N Ki = 195000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B4HIF1 4-[4-[(5-Methyl-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]butanamide Investigative 11709226 C16H19N3O3 301.34 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCCC(=O)N Ki = 112000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B4OYD0 3-[4-[(5-Methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanoic acid Investigative 5276658 C15H16N2O4 288.3 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCC(=O)O Ki = 55000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B6CGW4 1-(4-Aminomethyl-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione Investigative 508215 C11H17N3O4 255.27 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)CN Ki = 57000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B6ERW3 6-[4-[(5-Methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hex-5-ynamide Investigative 11638416 C18H19N3O3 325.4 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)C#CCCCC(=O)N Ki = 113000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B75XIM 1-[(2R,3R,4R,5S)-4-(Azidomethyl)-3-fluoro-5-(fluoromethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione Investigative 5273627 C11H13F2N5O3 301.25 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CF)CN=[N+]=[N-])F Ki = 80000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B87GKO Methyl 4-[4-[(5-chloro-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]butanoate Investigative 44586335 C16H17ClN2O4 336.77 COC(=O)CCCC1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)Cl Ki = 59000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B89PUQ 3'-Azido-3'-deoxy-4-thiothymidine Investigative 3000254 C10H13N5O3S 283.31 CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] Ki ~ 100000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B8XNT9 1',5'-Anhydro-2',3'-dideoxy-2'-(thymin-1-YL)-6'-O-phosphoryl-D-arabino-hexitol Investigative 502270 C11H17N2O8P 336.23 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)COP(=O)(O)O)O Ki = 150000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B94OIH 1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione Investigative 237953 C12H12N2O2 216.24 CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2 Ki = 75000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase B9PU5E 1-[[(2S,3R,5R)-2-(Hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]methyl]-3-phenyl-thiourea Investigative 23635981 C18H22N4O4S 390.5 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)CNC(=S)NC3=CC=CC=C3 Ki = 69000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BA26CN 1-[(2R,3R,4R,5S)-4-(Azidomethyl)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione Investigative 5273625 C11H14FN5O4 299.26 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)CN=[N+]=[N-])F Ki = 165000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BAH3G2 3-[4-[(5-Methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanamide Investigative 5276657 C15H17N3O3 287.31 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCC(=O)N Ki = 89000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BC50OT [(2R,3S,4R,5R)-4-Amino-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate Investigative 499785 C10H16N3O8P 337.22 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N Ki = 55000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BC8I7E 2'-Fluorothymidine Investigative 159498 C10H13FN2O5 260.22 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F Ki = 122000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BC9E1P 5-[4-[(5-Methyl-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]pentanamide Investigative 24764256 C17H21N3O3 315.37 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCCCC(=O)N Ki = 55000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BCXH05 3-Benzyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione Investigative 44586051 C17H20N2O6 348.3 CC1=CN(C(=O)N(C1=O)CC2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O Ki = 75000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BEFO12 1-[(2R,4S,5R)-5-[[[1-[4-Chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]amino]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione Investigative 57395360 C18H17ClF3N7O4 487.8 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC3=NN=NN3C4=CC(=C(C=C4)Cl)C(F)(F)F)O Ki = 73000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BEG0R7 1-[[4-(4-Hydroxybutyl)phenyl]methyl]-5-methyl-pyrimidine-2,4-dione Investigative 11694923 C16H20N2O3 288.34 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCCCO Ki = 51000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BF7R6B 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(2-thienyl)- Investigative 10890299 C11H7NO2S2 249.3 CSC1=C(C(=O)OC(=C1)C2=CC=CS2)C#N IC50 ~ 50000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BHK53O 5-[4-[(5-Methyl-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]pentanoic Acid Investigative 11536969 C17H20N2O4 316.35 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCCCC(=O)O Ki = 58000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BJ39XQ 6-[4-[(5-Methyl-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]hex-5-ynoic Acid Investigative 11616826 C18H18N2O4 326.3 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)C#CCCCC(=O)O Ki = 96000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BKP9Y0 1-[[4-(4-Hydroxybut-1-ynyl)phenyl]methyl]-5-methyl-pyrimidine-2,4-dione Investigative 23119029 C16H16N2O3 284.31 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)C#CCCO Ki = 70000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BL1GP9 [(2R,3S,5R)-5-[5-(2-Furyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Investigative 502268 C13H15N2O9P 374.24 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=CO3)COP(=O)(O)O)O Ki = 140000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BL9HV0 1-[(3-Fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione Investigative 5276661 C12H11FN2O2 234.23 CC1=CN(C(=O)NC1=O)CC2=CC(=CC=C2)F Ki = 90000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BLI2T5 1-[(2R,4S,5R)-4-Hydroxy-5-[2-(1H-tetrazol-5-yl)ethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione Investigative 71508269 C12H16N6O4 308.29 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCC3=NNN=N3)O Ki = 70000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BMC54Y Methyl 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanoate Investigative 11695376 C17H20N2O4 316.35 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCCC(=O)OC Ki = 70000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BNH7G3 1-[(4-Chlorophenyl)methyl]-5-methyl-3H-pyrimidine-2,4-dione Investigative 5276663 C12H11ClN2O2 250.68 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)Cl Ki = 50000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BNUJ90 1-(3-Azidomethyl-2-chloro-2,3-dideoxy-beta-D-ribofuranosyl)thymine Investigative 44421255 C11H14ClN5O4 315.71 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C([C@H](O2)CO)CN=[N+]=[N-])Cl Ki = 180000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BO4WL3 1-[(3,4-Difluorophenyl)methyl]-5-methylpyrimidine-2,4-dione Investigative 5276662 C12H10F2N2O2 252.22 CC1=CN(C(=O)NC1=O)CC2=CC(=C(C=C2)F)F Ki = 67000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BSR0O3 1-[(2S,3S,4R,5R)-4-Hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]guanidine Investigative 510576 C11H17N5O5 299.28 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=C(N)N)O Ki = 140000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BUC5E2 Methyl 4-[4-[(5-bromo-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]butanoate Investigative 44586749 C16H17BrN2O4 381.22 COC(=O)CCCC1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)Br Ki = 52000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BUPY46 4-[2-Fluoro-4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanoic acid Investigative 11558786 C16H17FN2O4 320.31 CC1=CN(C(=O)NC1=O)CC2=CC(=C(C=C2)CCCC(=O)O)F Ki = 63000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BW0L2U 1-[4-(2-Hydroxy-ethyl)-5-hydroxymethyl-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione Investigative 510142 C12H18N2O5 270.28 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)CCO Ki = 156000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BZ0D7W [(2S,3S,4R,5R)-3-(Azidomethyl)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate Investigative 3006431 C11H16N5O8P 377.25 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CN=[N+]=[N-])O Ki = 116000 nM Poor binder T94400 Mycobacterium Thymidine monophosphate kinase BZX25R N-[[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide Investigative 510573 C12H17N3O5 283.28 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C)O Ki = 90000 nM Poor binder