TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T98091 Inflammation-related GPCR EX33 B10ZUI 2-(4-Phenylbutylsulfanyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one Investigative 137205241 C15H15F3N2OS 328.4 C1=CC=C(C=C1)CCCCSC2=NC(=CC(=O)N2)C(F)(F)F EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B1QK4C 10-Hydroxylauric acid Investigative 10176767 C12H24O3 216.32 CCC(CCCCCCCCC(=O)O)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B2B5SG 2-(Hexylthio)-6-hydroxy-3-methyl-4(3H)-pyrimidinone Investigative 135458798 C11H18N2O2S 242.34 CCCCCCSC1=NC(=CC(=O)N1C)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B2BZ0A 11-Hydroxylauric acid Investigative 169433 C12H24O3 216.32 CC(CCCCCCCCCC(=O)O)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B2MJL9 2-Hexylsulfanyl-4-(7-hydroxyheptoxy)-1H-pyrimidin-6-one Investigative 127045484 C17H30N2O3S 342.5 CCCCCCSC1=NC(=CC(=O)N1)OCCCCCCCO EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B2Y9QK 6-Hydroxydodecanoic acid Investigative 37289 C12H24O3 216.32 CCCCCCC(CCCCC(=O)O)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B63LWR 4-Hydroxy-2-(8-hydroxyoctylsulfanyl)-1H-pyrimidin-6-one Investigative 127045483 C12H20N2O3S 272.37 C1=C(N=C(NC1=O)SCCCCCCCCO)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B6LAI1 4-Hydroxy-5-methyl-2-(4-phenylbutylsulfanyl)-1H-pyrimidin-6-one Investigative 127044147 C15H18N2O2S 290.4 CC1=C(N=C(NC1=O)SCCCCC2=CC=CC=C2)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B78EMP 4-Amino-2-(4-phenylbutylsulfanyl)-1H-pyrimidin-6-one Investigative 136986925 C14H17N3OS 275.37 C1=CC=C(C=C1)CCCCSC2=NC(=CC(=O)N2)N EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 B9I2EC 6-Hexyloxy-2-hexylsulfanyl-pyrimidin-4-ol Investigative 127045328 C16H28N2O2S 312.5 CCCCCCOC1=CC(=O)NC(=N1)SCCCCCC EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 BG7T5M 9-Hydroxy-dodecanoic acid Investigative 5312744 C12H24O3 216.32 CCCC(CCCCCCCC(=O)O)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 BG8RK7 7-Hydroxylauric acid Investigative 5312743 C12H24O3 216.32 CCCCCC(CCCCCC(=O)O)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 BH0QF6 2-(4-Phenylbutylsulfanyl)pyrimidine-4,6-diamine Investigative 114333799 C14H18N4S 274.39 C1=CC=C(C=C1)CCCCSC2=NC(=CC(=N2)N)N EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 BH7TB8 5-(4-Hydroxy-6-oxo-1H-pyrimidin-2-yl)pentanenitrile Investigative 127043659 C9H11N3O2 193.2 C1=C(N=C(NC1=O)CCCCC#N)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 BLT36V 5-Hydroxydodecaneoic acid sodium salt Investigative 102338889 C12H23NaO3 238.3 CCCCCCCC(CCCC(=O)[O-])O.[Na+] EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 BY2K6V 4-Methyl-2-(4-phenylbutylsulfanyl)-1H-pyrimidin-6-one Investigative 137205240 C15H18N2OS 274.4 CC1=CC(=O)NC(=N1)SCCCCC2=CC=CC=C2 EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 BY6KI8 8-Hydroxydodecanoic acid Investigative 14454530 C12H24O3 216.32 CCCCC(CCCCCCC(=O)O)O EC50 ~ 100000 nM Poor binder T98091 Inflammation-related GPCR EX33 BZH14M 3-Benzyl-2-hexylsulfanyl-6-hydroxypyrimidin-4-one Investigative 137205242 C17H22N2O2S 318.4 CCCCCCSC1=NC(=CC(=O)N1CC2=CC=CC=C2)O EC50 ~ 100000 nM Poor binder