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 | |
|---|---|---|---|---|---|---|---|
| B138200 | CHEMBL4441247 | -- | -- | 505.66 | C31H39NO5 | NEUTRAL | Details |
| B138203 | CHEMBL4441323 | -- | -- | 295.75 | C12H10ClN3O2S | ACID | Details |
| B138211 | CHEMBL444175 | Small molecule | -- | 575.71 | C37H37NO5 | ACID | Details |
| B138216 | CHEMBL4441822 | -- | -- | 334.37 | C18H22O6 | NEUTRAL | Details |
| B138244 | CHEMBL4443192 | -- | -- | 482.59 | C23H25F3N2O2S2 | ACID | Details |
| B138247 | CHEMBL4443400 | -- | -- | 358.25 | C14H13Cl2N3O2S | ACID | Details |
| B138254 | CHEMBL4443588 | -- | -- | 530.63 | C30H34N4O5 | ACID | Details |
| B138257 | CHEMBL444373 | Small molecule | -- | 331.32 | C17H17NO6 | ACID | Details |
| B138262 | CHEMBL4443931 | -- | -- | 562.62 | C34H30N2O6 | ACID | Details |
| B138266 | CHEMBL4444322 | -- | -- | 449.46 | C24H23N3O6 | ACID | Details |
| B138271 | CHEMBL4444484 | -- | -- | 486.83 | C24H14ClF3N2O4 | ACID | Details |
| B138273 | CHEMBL4444610 | -- | -- | 483.45 | C25H20F3N3O4 | ACID | Details |
| B138275 | CHEMBL4444760 | -- | -- | 557.76 | C32H39N5O2S | ZWITTERION | Details |
| B138278 | CHEMBL4444888 | -- | -- | 540.62 | C30H32N6O4 | ACID | Details |
| B138280 | CHEMBL4445012 | -- | -- | 540.73 | C27H28N2O4S3 | ACID | Details |
| B138282 | CHEMBL4445084 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138289 | CHEMBL4445468 | -- | -- | 387.44 | C23H21N3O3 | NEUTRAL | Details |
| B138291 | CHEMBL4445524 | -- | -- | 376.24 | C19H15Cl2NO3 | ACID | Details |
| B138296 | CHEMBL4445737 | -- | -- | 472.46 | C25H23F3N2O4 | ACID | Details |
| B138300 | CHEMBL4445924 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |
| B138301 | CHEMBL4446031 | -- | -- | 483.49 | C22H24Cl2N2O2S2 | ACID | Details |
| B138311 | CHEMBL4446633 | -- | -- | 429.48 | C25H23N3O4 | NEUTRAL | Details |
| B138315 | CHEMBL4446679 | -- | -- | 484.69 | C26H32N2O3S2 | ACID | Details |
| B138332 | CHEMBL4447565 | -- | -- | 275.35 | C13H9NO2S2 | ACID | Details |
| B138340 | CHEMBL4447835 | -- | -- | 634.71 | C36H35FN6O4 | ACID | Details |
| B138349 | CHEMBL4448302 | -- | -- | 487.53 | C29H26FNO5 | ACID | Details |
| B138351 | CHEMBL4448507 | -- | -- | 236.27 | C13H16O4 | ACID | Details |
| B138361 | CHEMBL4448767 | -- | -- | 617.66 | C33H35N3O9 | ACID | Details |
| B138366 | CHEMBL4448988 | -- | -- | 606.66 | C34H31FN6O4 | ACID | Details |
| B138375 | CHEMBL4449283 | -- | -- | 400.48 | C25H24N2O3 | ACID | Details |
| B138378 | CHEMBL4449414 | -- | -- | 414.47 | C24H22N4O3 | NEUTRAL | Details |
| B138382 | CHEMBL4449687 | -- | -- | 619.62 | C34H29F4N3O4 | ACID | Details |
| B138383 | CHEMBL444970 | Small molecule | CHLORPHRIFOS OXON | 334.52 | C9H11Cl3NO4P | NEUTRAL | Details |
| B138384 | CHEMBL4449760 | -- | -- | 404.47 | C24H24N2O4 | ACID | Details |
| B138399 | CHEMBL4450373 | -- | -- | 714.56 | C32H38F3IN2O5 | ACID | Details |
| B138408 | CHEMBL4450797 | -- | -- | 569.55 | C31H27F4NO5 | ACID | Details |
| B138413 | CHEMBL4451056 | -- | -- | 268.4 | C16H28O3 | ACID | Details |
| B138423 | CHEMBL445151 | Small molecule | -- | 471.51 | C27H25N3O5 | ACID | Details |
| B138437 | CHEMBL4452409 | -- | -- | 486.83 | C24H14ClF3N2O4 | ACID | Details |
| B138441 | CHEMBL4452679 | -- | -- | 500.86 | C25H16ClF3N2O4 | ACID | Details |
| B138447 | CHEMBL4452865 | -- | -- | 514.58 | C29H30N4O5 | ACID | Details |
| B138457 | CHEMBL4453254 | -- | -- | 280.32 | C18H16O3 | NEUTRAL | Details |
| B138458 | CHEMBL4453360 | -- | -- | 542.64 | C31H34N4O5 | ACID | Details |
| B138464 | CHEMBL4453610 | -- | -- | 483.36 | C24H23BrN2O4 | ACID | Details |
| B138473 | CHEMBL4454057 | -- | -- | 264.32 | C15H20O4 | NEUTRAL | Details |
| B138475 | CHEMBL4454087 | -- | -- | 445.48 | C25H23N3O5 | NEUTRAL | Details |
| B138477 | CHEMBL4454120 | -- | -- | 572.71 | C33H40N4O5 | ACID | Details |
| B138478 | CHEMBL4454138 | -- | -- | 493.57 | C29H27N5O3 | ACID | Details |
| B138484 | CHEMBL4454228 | -- | -- | 529.96 | C28H21ClFN5O3 | ACID | Details |
| B138489 | CHEMBL4454550 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B138497 | CHEMBL4454999 | -- | -- | 329.79 | C17H16ClN3O2 | ACID | Details |
| B138527 | CHEMBL4456445 | -- | -- | 391.32 | C19H13F4N3O2 | NEUTRAL | Details |
| B138534 | CHEMBL4456647 | -- | -- | 556.66 | C32H36N4O5 | ACID | Details |
| B138551 | CHEMBL4457177 | -- | -- | 486.83 | C24H14ClF3N2O4 | ACID | Details |
| B138572 | CHEMBL4458082 | -- | -- | 463.55 | C28H30FNO4 | ACID | Details |
| B138575 | CHEMBL4458208 | -- | -- | 370.26 | C15H13Cl2N3O2S | ACID | Details |
| B138582 | CHEMBL4458573 | -- | -- | 330.69 | C15H10ClF3O3 | ACID | Details |
| B138592 | CHEMBL445921 | Small molecule | -- | 555.55 | C30H28F3NO6 | ACID | Details |
| B138598 | CHEMBL445942 | Small molecule | -- | 540.62 | C32H32N2O6 | ACID | Details |
| B138602 | CHEMBL445957 | Small molecule | -- | 199.04 | C8H4Cl2N2 | NEUTRAL | Details |
| B138606 | CHEMBL4459695 | -- | -- | 236.35 | C15H24O2 | NEUTRAL | Details |
| B138607 | CHEMBL4459701 | -- | -- | 368.26 | C14H14BrN3O2S | ACID | Details |
| B138611 | CHEMBL4460064 | -- | -- | 551.56 | C31H28F3NO5 | ACID | Details |
| B138612 | CHEMBL4460072 | -- | -- | 400.56 | C25H36O4 | NEUTRAL | Details |
| B138616 | CHEMBL4460166 | -- | -- | 470.7 | C26H34N2O2S2 | ACID | Details |
| B138625 | CHEMBL4460559 | -- | -- | 631.59 | C33H30F5NO6 | ACID | Details |
| B138633 | CHEMBL4461022 | -- | -- | 457.31 | C19H13BrN4O3S | ACID | Details |
| B138639 | CHEMBL4461490 | -- | -- | 429.48 | C25H23N3O4 | ACID | Details |
| B138640 | CHEMBL4461571 | -- | -- | 500.56 | C27H21FN4O3S | ACID | Details |
| B138644 | CHEMBL446177 | Small molecule | -- | 374.54 | C24H35FO2 | NEUTRAL | Details |
| B138646 | CHEMBL4461789 | -- | -- | 390.96 | C19H19ClN2OS2 | NEUTRAL | Details |
| B138649 | CHEMBL4461949 | -- | -- | 438.91 | C24H23ClN2O4 | ACID | Details |
| B138652 | CHEMBL4462202 | -- | -- | 453.03 | C24H21ClN2OS2 | NEUTRAL | Details |
| B138683 | CHEMBL4463449 | -- | -- | 649.58 | C33H29F6NO6 | ACID | Details |
| B138684 | CHEMBL4463464 | -- | -- | 387.46 | C24H22FN3O | NEUTRAL | Details |
| B138686 | CHEMBL4463568 | -- | -- | 470.46 | C21H18N4O7S | ACID | Details |
| B138688 | CHEMBL4463602 | -- | -- | 526.59 | C30H30N4O5 | ACID | Details |
| B138690 | CHEMBL446365 | Small molecule | -- | 506.6 | C29H34N2O6 | ACID | Details |
| B138694 | CHEMBL4463957 | -- | -- | 616.72 | C36H36N6O4 | ACID | Details |
| B138700 | CHEMBL4464270 | -- | -- | 279.34 | C17H17N3O | BASE | Details |
| B138703 | CHEMBL4464538 | -- | -- | 490.69 | C28H30N2O2S2 | ACID | Details |
| B138706 | CHEMBL4464717 | -- | -- | 588.67 | C34H32N6O4 | ACID | Details |
| B138707 | CHEMBL446489 | Small molecule | -- | 549.67 | C35H35NO5 | ACID | Details |
| B138708 | CHEMBL4465004 | -- | -- | 365.89 | C17H20ClN3O2S | ACID | Details |
| B138715 | CHEMBL4465311 | -- | -- | 582.71 | C33H38N6O4 | ACID | Details |
| B138722 | CHEMBL4465395 | -- | -- | 471.53 | C29H26FNO4 | ACID | Details |
| B138725 | CHEMBL4465521 | -- | -- | 282.77 | C15H19ClO3 | NEUTRAL | Details |
| B138732 | CHEMBL4465726 | -- | -- | 488.85 | C24H16ClF3N2O4 | ACID | Details |
| B138734 | CHEMBL4465839 | -- | -- | 308.38 | C16H24N2O4 | NEUTRAL | Details |
| B138739 | CHEMBL4466036 | -- | -- | 384.48 | C25H24N2O2 | ACID | Details |
| B138741 | CHEMBL4466241 | -- | -- | 570.69 | C33H38N4O5 | ACID | Details |
| B138742 | CHEMBL446629 | Small molecule | -- | 545.64 | C34H31N3O4 | ACID | Details |
| B138744 | CHEMBL4466393 | -- | -- | 468.58 | C28H24N2O3S | NEUTRAL | Details |
| B138747 | CHEMBL4466509 | -- | -- | 264.32 | C15H20O4 | NEUTRAL | Details |
| B138749 | CHEMBL4466552 | -- | -- | 502.6 | C28H38O8 | NEUTRAL | Details |
| B138755 | CHEMBL4466709 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138760 | CHEMBL4466846 | -- | -- | 542.94 | C28H22ClF3N2O4 | NEUTRAL | Details |
| B138762 | CHEMBL4466987 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B138765 | CHEMBL4467078 | -- | -- | 587.64 | C31H36F3N3O5 | ACID | Details |
| B138770 | CHEMBL4467339 | -- | -- | 534.65 | C32H38O7 | NEUTRAL | Details |