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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Peroxisome proliferator-activated receptor gamma7079 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B138775 | CHEMBL4467778 | -- | -- | 246.31 | C15H18O3 | NEUTRAL | Details |
| B138778 | CHEMBL4467971 | -- | -- | 635.6 | C33H31F6NO5 | ACID | Details |
| B138779 | CHEMBL4468084 | -- | -- | 556.62 | C30H32N6O5 | ACID | Details |
| B138785 | CHEMBL4468381 | -- | -- | 468.0 | C23H18ClN3O2S2 | NEUTRAL | Details |
| B138790 | CHEMBL4468637 | -- | -- | 606.66 | C34H31FN6O4 | ACID | Details |
| B138794 | CHEMBL446893 | Small molecule | -- | 350.41 | C22H22O4 | ACID | Details |
| B138796 | CHEMBL4469210 | -- | -- | 488.46 | C25H23F3N2O5 | ACID | Details |
| B138799 | CHEMBL4469376 | -- | -- | 383.4 | C21H21NO6 | ACID | Details |
| B138803 | CHEMBL4469716 | -- | -- | 510.51 | C28H25F3N2O4 | ACID | Details |
| B138804 | CHEMBL4469751 | -- | -- | 528.61 | C30H32N4O5 | ACID | Details |
| B138807 | CHEMBL4469931 | -- | -- | 462.81 | C22H14ClF3N2O4 | ACID | Details |
| B138814 | CHEMBL4470507 | -- | -- | 281.4 | C16H27NO3 | ACID | Details |
| B138818 | CHEMBL4470753 | -- | -- | 444.33 | C22H22BrNO4 | ACID | Details |
| B138824 | CHEMBL4470932 | -- | -- | 512.52 | C29H22F2N4O3 | ACID | Details |
| B138828 | CHEMBL4471255 | -- | -- | 309.78 | C13H12ClN3O2S | ACID | Details |
| B138834 | CHEMBL4471421 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138846 | CHEMBL4471853 | -- | -- | 438.91 | C24H23ClN2O4 | ACID | Details |
| B138848 | CHEMBL447190 | Small molecule | -- | 446.97 | C25H31ClO5 | ACID | Details |
| B138850 | CHEMBL4472170 | -- | -- | 408.44 | C20H16N4O4S | ACID | Details |
| B138851 | CHEMBL4472191 | -- | -- | 558.68 | C32H38N4O5 | ACID | Details |
| B138871 | CHEMBL4473193 | -- | -- | 250.34 | C15H22O3 | NEUTRAL | Details |
| B138883 | CHEMBL4473917 | -- | -- | 308.37 | C17H24O5 | NEUTRAL | Details |
| B138892 | CHEMBL4474407 | -- | -- | 499.08 | C21H23ClN2O4S3 | ACID | Details |
| B138900 | CHEMBL4474657 | -- | -- | 437.47 | C25H22F3N3O | NEUTRAL | Details |
| B138906 | CHEMBL4475061 | -- | -- | 443.5 | C26H25N3O4 | NEUTRAL | Details |
| B138908 | CHEMBL4475190 | -- | -- | 471.34 | C20H15BrN4O3S | ACID | Details |
| B138909 | CHEMBL4475287 | -- | -- | 250.29 | C14H18O4 | NEUTRAL | Details |
| B138910 | CHEMBL447533 | Small molecule | -- | 373.45 | C21H27NO5 | ACID | Details |
| B138911 | CHEMBL447538 | Small molecule | -- | 498.94 | C21H14ClF3N2O3S2 | ACID | Details |
| B138926 | CHEMBL4476449 | -- | -- | 362.27 | C17H12F6O2 | ACID | Details |
| B138932 | CHEMBL4476782 | -- | -- | 430.27 | C21H17BrFNO3 | ACID | Details |
| B138951 | CHEMBL4483378 | -- | -- | 449.04 | C22H25ClN2O2S2 | ACID | Details |
| B138965 | CHEMBL448567 | Small molecule | -- | 312.79 | C16H21ClO4 | ACID | Details |
| B138972 | CHEMBL448790 | Small molecule | -- | 460.06 | C21H30ClNO4S2 | NEUTRAL | Details |
| B138975 | CHEMBL448996 | Small molecule | -- | 565.71 | C36H39NO5 | ACID | Details |
| B138978 | CHEMBL449099 | Small molecule | -- | 290.75 | C16H15ClO3 | ACID | Details |
| B139000 | CHEMBL45005 | Small molecule | O-XYLENE | 106.17 | C8H10 | None | Details |
| B139001 | CHEMBL450050 | Small molecule | -- | 565.71 | C36H39NO5 | ACID | Details |
| B139005 | CHEMBL450409 | Small molecule | -- | 568.6 | C34H27F3N2O3 | NEUTRAL | Details |
| B139012 | CHEMBL450774 | Small molecule | -- | 567.66 | C35H34FNO5 | ACID | Details |
| B139014 | CHEMBL450825 | Small molecule | -- | 305.33 | C15H19N3O4 | ACID | Details |
| B139016 | CHEMBL450921 | Small molecule | -- | 324.31 | C19H13FO4 | ACID | Details |
| B139020 | CHEMBL451216 | Small molecule | -- | 549.67 | C35H35NO5 | ACID | Details |
| B139021 | CHEMBL451321 | Small molecule | METAGLIDASEN | 330.69 | C15H10ClF3O3 | ACID | Details |
| B139025 | CHEMBL4513559 | -- | -- | 437.47 | C25H22F3N3O | NEUTRAL | Details |
| B139030 | CHEMBL4513808 | -- | -- | 514.38 | C24H24Cl2F3N3O2 | ACID | Details |
| B139039 | CHEMBL4514313 | -- | -- | 309.78 | C13H12ClN3O2S | ACID | Details |
| B139042 | CHEMBL4514402 | -- | -- | 355.35 | C18H17N3O5 | NEUTRAL | Details |
| B139043 | CHEMBL4514441 | -- | -- | 522.91 | C28H18ClF3N2O3 | ACID | Details |
| B139044 | CHEMBL4514538 | -- | -- | 264.32 | C15H20O4 | NEUTRAL | Details |
| B139051 | CHEMBL4515010 | -- | -- | 496.54 | C29H25FN4O3 | ACID | Details |
| B139057 | CHEMBL451531 | Small molecule | -- | 363.65 | C14H9Cl3O3S | None | Details |
| B139059 | CHEMBL4515368 | -- | -- | 324.46 | C22H28O2 | ACID | Details |
| B139082 | CHEMBL4516607 | -- | -- | 487.53 | C29H26FNO5 | ACID | Details |
| B139087 | CHEMBL451681 | Small molecule | -- | 550.66 | C34H34N2O5 | ACID | Details |
| B139094 | CHEMBL4517263 | -- | -- | 542.64 | C31H34N4O5 | ACID | Details |
| B139105 | CHEMBL4517866 | -- | -- | 384.48 | C24H24N4O | NEUTRAL | Details |
| B139117 | CHEMBL4518548 | -- | -- | 496.54 | C29H25FN4O3 | ACID | Details |
| B139120 | CHEMBL4518713 | -- | -- | 424.76 | C19H12ClF3N2O4 | ACID | Details |
| B139121 | CHEMBL4518775 | -- | -- | 367.33 | C17H16F3N3O3 | ACID | Details |
| B139131 | CHEMBL4519376 | -- | -- | 428.58 | C22H24N2O3S2 | ACID | Details |
| B139136 | CHEMBL4519542 | -- | -- | 400.56 | C25H36O4 | ACID | Details |
| B139138 | CHEMBL4519598 | -- | -- | 424.98 | C22H17ClN2OS2 | NEUTRAL | Details |
| B139148 | CHEMBL452051 | Small molecule | -- | 531.91 | C27H21ClF3NO5 | ACID | Details |
| B139149 | CHEMBL452054 | Small molecule | -- | 471.34 | C24H20Cl2N2O4 | ACID | Details |
| B139153 | CHEMBL4520827 | -- | -- | 487.68 | C27H33N7S | ZWITTERION | Details |
| B139160 | CHEMBL4521388 | -- | -- | 516.6 | C29H32N4O5 | ACID | Details |
| B139169 | CHEMBL4522023 | -- | -- | 268.4 | C16H28O3 | ACID | Details |
| B139174 | CHEMBL4522217 | -- | -- | 461.83 | C22H15ClF3N3O3 | ACID | Details |
| B139186 | CHEMBL452299 | Small molecule | -- | 444.49 | C26H24N2O5 | ACID | Details |
| B139221 | CHEMBL4527193 | -- | -- | 279.34 | C17H17N3O | NEUTRAL | Details |
| B139227 | CHEMBL4527674 | -- | -- | 403.91 | C24H22ClN3O | NEUTRAL | Details |
| B139230 | CHEMBL4527893 | -- | -- | 514.58 | C29H30N4O5 | ACID | Details |
| B139241 | CHEMBL4528723 | -- | -- | 429.48 | C25H23N3O4 | NEUTRAL | Details |
| B139242 | CHEMBL4528726 | -- | -- | 424.43 | C23H21FN2O5 | ACID | Details |
| B139244 | CHEMBL4528757 | -- | -- | 474.6 | C29H34N2O4 | ZWITTERION | Details |
| B139262 | CHEMBL4529787 | -- | -- | 252.35 | C15H24O3 | ACID | Details |
| B139285 | CHEMBL4531918 | -- | -- | 516.6 | C29H32N4O5 | ACID | Details |
| B139292 | CHEMBL4532632 | -- | -- | 527.47 | C28H21F4NO5 | ACID | Details |
| B139293 | CHEMBL4532662 | -- | -- | 528.97 | C29H22ClFN4O3 | ACID | Details |
| B139296 | CHEMBL4533202 | -- | -- | 402.7 | C14H13BrClN3O2S | ACID | Details |
| B139299 | CHEMBL4533479 | -- | A-1806262 | 558.68 | C33H38N2O6 | ACID | Details |
| B139303 | CHEMBL4533671 | -- | -- | 573.61 | C30H34F3N3O5 | ZWITTERION | Details |
| B139306 | CHEMBL4533822 | -- | -- | 483.36 | C24H23BrN2O4 | ACID | Details |
| B139307 | CHEMBL453388 | Small molecule | AMPICILLIN TRIHYDRATE | 403.46 | C16H25N3O7S | ACID | Details |
| B139317 | CHEMBL453461 | Small molecule | -- | 250.3 | C13H18N2O3 | NEUTRAL | Details |
| B139325 | CHEMBL453509 | Small molecule | PALMITOLEIC ACID | 254.41 | C16H30O2 | ACID | Details |
| B139331 | CHEMBL4535401 | -- | -- | 584.6 | C30H31F3N4O5 | ACID | Details |
| B139340 | CHEMBL4535730 | -- | -- | 372.51 | C23H32O4 | ACID | Details |
| B139348 | CHEMBL4536044 | -- | -- | 475.46 | C25H24F3NO5 | ACID | Details |
| B139350 | CHEMBL4536197 | -- | A-486 | 536.48 | C25H24F4N4O5 | NEUTRAL | Details |
| B139356 | CHEMBL4536821 | -- | -- | 351.86 | C16H18ClN3O2S | ACID | Details |
| B139363 | CHEMBL4537335 | -- | -- | 544.65 | C31H36N4O5 | ACID | Details |
| B139366 | CHEMBL4537625 | -- | -- | 556.42 | C26H28Cl2N3NaO5 | ACID | Details |
| B139382 | CHEMBL453863 | Small molecule | TEROXIRONE | 297.27 | C12H15N3O6 | NEUTRAL | Details |
| B139384 | CHEMBL4538895 | -- | -- | 438.45 | C25H21F3N2O2 | ACID | Details |
| B139392 | CHEMBL4539282 | -- | -- | 439.01 | C23H19ClN2OS2 | NEUTRAL | Details |
| B139395 | CHEMBL4539448 | -- | -- | 232.32 | C15H20O2 | NEUTRAL | Details |
| B139397 | CHEMBL4539507 | -- | -- | 485.56 | C30H28FNO4 | ACID | Details |
| B139404 | CHEMBL4540025 | -- | -- | 306.36 | C17H22O5 | NEUTRAL | Details |