Bioactive Compounds
Drug-like bioactive compounds for NAFLD-related targets (i.e., therapeutic targets in NAFLDkb) are extracted from ChEMBL. Detailed information and structure for each compound are provided, along with knowledge graphs linked with related therapeutic targets.
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147604 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B138801 | CHEMBL4469479 | -- | -- | 353.51 | C23H31NO2 | NEUTRAL | Details |
| B138802 | CHEMBL446968 | Small molecule | -- | 262.26 | C11H18O7 | NEUTRAL | Details |
| B138803 | CHEMBL4469716 | -- | -- | 510.51 | C28H25F3N2O4 | ACID | Details |
| B138804 | CHEMBL4469751 | -- | -- | 528.61 | C30H32N4O5 | ACID | Details |
| B138805 | CHEMBL4469861 | -- | -- | 354.8 | C18H15ClN4O2 | NEUTRAL | Details |
| B138806 | CHEMBL4469877 | -- | -- | 423.39 | C20H20F3N3O4 | BASE | Details |
| B138807 | CHEMBL4469931 | -- | -- | 462.81 | C22H14ClF3N2O4 | ACID | Details |
| B138808 | CHEMBL447 | Small molecule | SECOBARBITAL | 238.29 | C12H18N2O3 | NEUTRAL | Details |
| B138809 | CHEMBL4470038 | -- | -- | 355.83 | C19H18ClN3O2 | ACID | Details |
| B138810 | CHEMBL4470072 | -- | -- | 430.63 | C26H42N2O3 | NEUTRAL | Details |
| B138811 | CHEMBL447016 | Small molecule | -- | 360.41 | C20H24O6 | NEUTRAL | Details |
| B138812 | CHEMBL4470285 | -- | -- | 321.34 | C17H15N5O2 | NEUTRAL | Details |
| B138813 | CHEMBL4470348 | -- | -- | 356.81 | C18H17ClN4O2 | NEUTRAL | Details |
| B138814 | CHEMBL4470507 | -- | -- | 281.4 | C16H27NO3 | ACID | Details |
| B138815 | CHEMBL4470523 | -- | -- | 452.94 | C24H25ClN4O3 | NEUTRAL | Details |
| B138816 | CHEMBL4470687 | -- | -- | 438.96 | C23H27ClN6O | NEUTRAL | Details |
| B138817 | CHEMBL4470701 | -- | -- | 541.64 | C25H34F3N5O3S | BASE | Details |
| B138818 | CHEMBL4470753 | -- | -- | 444.33 | C22H22BrNO4 | ACID | Details |
| B138819 | CHEMBL4470764 | -- | -- | 188.23 | C11H12N2O | BASE | Details |
| B138820 | CHEMBL4470785 | -- | -- | 281.32 | C15H15N5O | NEUTRAL | Details |
| B138821 | CHEMBL4470834 | -- | -- | 566.18 | C29H36ClN7OS | ACID | Details |
| B138822 | CHEMBL4470882 | -- | -- | 372.51 | C19H20N2O2S2 | NEUTRAL | Details |
| B138823 | CHEMBL44709 | Small molecule | -- | 241.25 | C14H11NO3 | NEUTRAL | Details |
| B138824 | CHEMBL4470932 | -- | -- | 512.52 | C29H22F2N4O3 | ACID | Details |
| B138825 | CHEMBL4471038 | -- | -- | 442.51 | C24H23FO5S | NEUTRAL | Details |
| B138826 | CHEMBL4471039 | -- | -- | 372.38 | C18H20N4O5 | NEUTRAL | Details |
| B138827 | CHEMBL4471059 | -- | -- | 489.83 | C22H27Cl3N2O4 | NEUTRAL | Details |
| B138828 | CHEMBL4471255 | -- | -- | 309.78 | C13H12ClN3O2S | ACID | Details |
| B138829 | CHEMBL4471263 | -- | -- | 479.29 | C18H19Cl2F3N6O2 | BASE | Details |
| B138830 | CHEMBL4471283 | -- | -- | 555.71 | C32H45NO7 | NEUTRAL | Details |
| B138831 | CHEMBL4471295 | -- | -- | 290.8 | C10H11ClN2O2S2 | NEUTRAL | Details |
| B138832 | CHEMBL4471297 | -- | -- | 692.49 | C20H17F9N4O9S2 | NEUTRAL | Details |
| B138833 | CHEMBL4471323 | -- | -- | 380.47 | C20H20N4O2S | NEUTRAL | Details |
| B138834 | CHEMBL4471421 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138835 | CHEMBL4471493 | -- | -- | 459.28 | C21H18INO3 | ACID | Details |
| B138836 | CHEMBL4471502 | -- | -- | 538.69 | C33H38N4O3 | NEUTRAL | Details |
| B138837 | CHEMBL4471562 | -- | -- | 602.61 | C33H29F3N4O4 | ACID | Details |
| B138838 | CHEMBL4471583 | -- | -- | 339.44 | C21H25NO3 | NEUTRAL | Details |
| B138839 | CHEMBL4471591 | -- | -- | 387.27 | C20H16Cl2N2O2 | NEUTRAL | Details |
| B138840 | CHEMBL4471668 | -- | -- | 626.22 | C36H36ClN3O3S | ACID | Details |
| B138841 | CHEMBL4471698 | -- | -- | 3439.88 | C160H236N40O45 | None | Details |
| B138842 | CHEMBL4471792 | -- | -- | 295.35 | C16H17N5O | NEUTRAL | Details |
| B138843 | CHEMBL4471793 | -- | -- | 352.43 | C21H24N2O3 | NEUTRAL | Details |
| B138844 | CHEMBL4471813 | -- | -- | 488.38 | C22H18F6N2O4 | BASE | Details |
| B138845 | CHEMBL4471852 | -- | -- | 472.71 | C30H48O4 | NEUTRAL | Details |
| B138846 | CHEMBL4471853 | -- | -- | 438.91 | C24H23ClN2O4 | ACID | Details |
| B138847 | CHEMBL4471888 | -- | -- | 470.43 | C15H17Cl2N3O4S3 | NEUTRAL | Details |
| B138848 | CHEMBL447190 | Small molecule | -- | 446.97 | C25H31ClO5 | ACID | Details |
| B138849 | CHEMBL4472047 | -- | -- | 440.9 | C20H21ClO7S | NEUTRAL | Details |
| B138850 | CHEMBL4472170 | -- | -- | 408.44 | C20H16N4O4S | ACID | Details |
| B138851 | CHEMBL4472191 | -- | -- | 558.68 | C32H38N4O5 | ACID | Details |
| B138852 | CHEMBL4472294 | -- | -- | 390.45 | C24H18N6 | NEUTRAL | Details |
| B138853 | CHEMBL4472308 | -- | -- | 669.86 | C37H55N3O8 | NEUTRAL | Details |
| B138854 | CHEMBL447233 | Small molecule | -- | 526.62 | C25H30N6O5S | ACID | Details |
| B138855 | CHEMBL4472333 | -- | -- | 437.97 | C21H25ClFN3O2S | BASE | Details |
| B138856 | CHEMBL4472384 | -- | -- | 333.82 | C18H20ClNO3 | NEUTRAL | Details |
| B138857 | CHEMBL4472436 | -- | -- | 350.81 | C16H19ClN4O3 | NEUTRAL | Details |
| B138858 | CHEMBL4472489 | -- | -- | 582.21 | C32H40ClN3O3S | ACID | Details |
| B138859 | CHEMBL4472502 | -- | -- | 483.37 | C23H23BrN4O3 | NEUTRAL | Details |
| B138860 | CHEMBL4472554 | -- | -- | 608.74 | C35H40N6O4 | NEUTRAL | Details |
| B138861 | CHEMBL4472652 | -- | -- | 484.45 | C16H19Cl2N3O4S3 | NEUTRAL | Details |
| B138862 | CHEMBL4472778 | -- | -- | 235.67 | C12H10ClNO2 | NEUTRAL | Details |
| B138863 | CHEMBL4472821 | -- | -- | 372.42 | C19H17FN2O3S | ACID | Details |
| B138864 | CHEMBL4472831 | -- | -- | 456.58 | C27H36O6 | NEUTRAL | Details |
| B138865 | CHEMBL4472897 | -- | -- | 415.85 | C21H19ClFN3O3 | NEUTRAL | Details |
| B138866 | CHEMBL4472937 | -- | -- | 415.76 | C16H13ClF3N5O3 | BASE | Details |
| B138867 | CHEMBL4473086 | -- | -- | 485.42 | C20H22F3N5O6 | NEUTRAL | Details |
| B138868 | CHEMBL4473107 | -- | -- | 448.32 | C18H14F6N4O3 | BASE | Details |
| B138869 | CHEMBL4473152 | -- | -- | 441.89 | C22H21ClFN5O2 | NEUTRAL | Details |
| B138870 | CHEMBL4473188 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138871 | CHEMBL4473193 | -- | -- | 250.34 | C15H22O3 | NEUTRAL | Details |
| B138872 | CHEMBL4473364 | -- | -- | 413.46 | C19H19N5O4S | NEUTRAL | Details |
| B138873 | CHEMBL4473365 | -- | -- | 602.16 | C28H36ClN7O4S | BASE | Details |
| B138874 | CHEMBL4473376 | -- | -- | 412.32 | C17H15F3N4O5 | ACID | Details |
| B138875 | CHEMBL4473444 | -- | -- | 395.43 | C22H22FN3O3 | NEUTRAL | Details |
| B138876 | CHEMBL4473498 | -- | -- | 511.42 | C25H27BrN4O3 | NEUTRAL | Details |
| B138877 | CHEMBL4473570 | -- | -- | 516.46 | C28H20O10 | NEUTRAL | Details |
| B138878 | CHEMBL4473659 | -- | -- | 384.82 | C19H17ClN4O3 | NEUTRAL | Details |
| B138879 | CHEMBL4473666 | -- | -- | 620.6 | C33H28F4N4O4 | NEUTRAL | Details |
| B138880 | CHEMBL4473756 | -- | -- | 311.35 | C16H17N5O2 | NEUTRAL | Details |
| B138881 | CHEMBL447378 | Small molecule | -- | 378.41 | C20H27O5P | ACID | Details |
| B138882 | CHEMBL4473830 | -- | -- | 369.51 | C23H31NO3 | NEUTRAL | Details |
| B138883 | CHEMBL4473917 | -- | -- | 308.37 | C17H24O5 | NEUTRAL | Details |
| B138884 | CHEMBL4473940 | -- | -- | 560.82 | C34H56O6 | NEUTRAL | Details |
| B138885 | CHEMBL4474089 | -- | -- | 289.73 | C13H12ClN5O | NEUTRAL | Details |
| B138886 | CHEMBL4474124 | -- | -- | 383.39 | C22H19F2NO3 | ACID | Details |
| B138887 | CHEMBL4474125 | -- | -- | 484.45 | C16H19Cl2N3O4S3 | NEUTRAL | Details |
| B138888 | CHEMBL4474208 | -- | -- | 283.74 | C11H10ClN3O2S | NEUTRAL | Details |
| B138889 | CHEMBL4474221 | -- | -- | 390.83 | C18H19ClN4O4 | NEUTRAL | Details |
| B138890 | CHEMBL4474275 | -- | -- | 631.65 | C35H32F3N3O5 | ACID | Details |
| B138891 | CHEMBL4474400 | -- | -- | 518.78 | C32H54O5 | NEUTRAL | Details |
| B138892 | CHEMBL4474407 | -- | -- | 499.08 | C21H23ClN2O4S3 | ACID | Details |
| B138893 | CHEMBL4474462 | -- | -- | 269.3 | C13H19NO5 | NEUTRAL | Details |
| B138894 | CHEMBL4474471 | -- | -- | 281.31 | C16H15N3O2 | BASE | Details |
| B138895 | CHEMBL4474507 | -- | -- | 299.32 | C14H21NO6 | NEUTRAL | Details |
| B138896 | CHEMBL447451 | Small molecule | GERANYLOXYVANILLIN | 288.39 | C18H24O3 | NEUTRAL | Details |
| B138897 | CHEMBL4474550 | -- | -- | 396.92 | C17H17ClN2O3S2 | NEUTRAL | Details |
| B138898 | CHEMBL4474576 | -- | -- | 385.77 | C18H15ClF3NO3 | NEUTRAL | Details |
| B138899 | CHEMBL44746 | Small molecule | KHELLIN | 260.24 | C14H12O5 | NEUTRAL | Details |
| B138900 | CHEMBL4474657 | -- | -- | 437.47 | C25H22F3N3O | NEUTRAL | Details |