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 alpha4442 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B138266 | CHEMBL4444322 | -- | -- | 449.46 | C24H23N3O6 | ACID | Details |
| B138273 | CHEMBL4444610 | -- | -- | 483.45 | C25H20F3N3O4 | 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 |
| B138305 | CHEMBL4446432 | -- | -- | 329.79 | C17H16ClN3O2 | ACID | Details |
| B138311 | CHEMBL4446633 | -- | -- | 429.48 | C25H23N3O4 | NEUTRAL | Details |
| B138315 | CHEMBL4446679 | -- | -- | 484.69 | C26H32N2O3S2 | ACID | Details |
| B138318 | CHEMBL4446831 | -- | -- | 333.75 | C16H13ClFN3O2 | ACID | Details |
| B138333 | CHEMBL4447577 | -- | -- | 602.61 | C33H29F3N4O4 | ACID | Details |
| B138350 | CHEMBL4448458 | -- | -- | 412.28 | C21H18BrNO3 | ACID | Details |
| B138351 | CHEMBL4448507 | -- | -- | 236.27 | C13H16O4 | ACID | Details |
| B138356 | CHEMBL4448658 | -- | -- | 403.81 | C21H16ClF2NO3 | ACID | Details |
| B138365 | CHEMBL4448919 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138368 | CHEMBL4449098 | -- | -- | 369.85 | C20H20ClN3O2 | ACID | Details |
| B138372 | CHEMBL4449183 | -- | -- | 607.73 | C37H38FN3O4 | ACID | Details |
| B138382 | CHEMBL4449687 | -- | -- | 619.62 | C34H29F4N3O4 | ACID | Details |
| B138384 | CHEMBL4449760 | -- | -- | 404.47 | C24H24N2O4 | ACID | Details |
| B138393 | CHEMBL4450146 | -- | -- | 637.61 | C34H28F5N3O4 | ACID | Details |
| B138395 | CHEMBL4450182 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |
| B138403 | CHEMBL4450594 | -- | -- | 367.84 | C20H18ClN3O2 | ACID | Details |
| B138413 | CHEMBL4451056 | -- | -- | 268.4 | C16H28O3 | ACID | Details |
| B138422 | CHEMBL4451462 | -- | -- | 619.62 | C34H29F4N3O4 | ACID | Details |
| B138431 | CHEMBL4451764 | -- | -- | 400.28 | C19H18BrN3O2 | ACID | Details |
| B138450 | CHEMBL4452945 | -- | -- | 669.62 | C35H29F6N3O4 | ACID | Details |
| B138457 | CHEMBL4453254 | -- | -- | 280.32 | C18H16O3 | NEUTRAL | Details |
| B138464 | CHEMBL4453610 | -- | -- | 483.36 | C24H23BrN2O4 | ACID | Details |
| B138475 | CHEMBL4454087 | -- | -- | 445.48 | C25H23N3O5 | NEUTRAL | Details |
| B138489 | CHEMBL4454550 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B138497 | CHEMBL4454999 | -- | -- | 329.79 | C17H16ClN3O2 | ACID | Details |
| B138507 | CHEMBL4455529 | -- | -- | 381.86 | C22H20ClNO3 | ACID | Details |
| B138509 | CHEMBL4455560 | -- | -- | 383.39 | C22H19F2NO3 | ACID | Details |
| B138517 | CHEMBL4455901 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138532 | CHEMBL4456624 | -- | -- | 355.83 | C19H18ClN3O2 | ACID | Details |
| B138539 | CHEMBL4456821 | -- | -- | 606.58 | C32H26F4N4O4 | ACID | Details |
| B138556 | CHEMBL4457493 | -- | -- | 661.64 | C33H23F4N5O4S | NEUTRAL | Details |
| B138559 | CHEMBL4457564 | -- | -- | 669.62 | C35H29F6N3O4 | ACID | Details |
| B138566 | CHEMBL4457812 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |
| B138575 | CHEMBL4458208 | -- | -- | 370.26 | C15H13Cl2N3O2S | ACID | Details |
| B138579 | CHEMBL4458366 | -- | -- | 351.38 | C21H18FNO3 | ACID | Details |
| B138592 | CHEMBL445921 | Small molecule | -- | 555.55 | C30H28F3NO6 | ACID | Details |
| B138598 | CHEMBL445942 | Small molecule | -- | 540.62 | C32H32N2O6 | ACID | Details |
| B138607 | CHEMBL4459701 | -- | -- | 368.26 | C14H14BrN3O2S | ACID | Details |
| B138610 | CHEMBL4460024 | -- | -- | 486.36 | C24H24BrNO5 | ACID | Details |
| B138612 | CHEMBL4460072 | -- | -- | 400.56 | C25H36O4 | NEUTRAL | Details |
| B138614 | CHEMBL4460143 | -- | -- | 355.83 | C19H18ClN3O2 | ACID | Details |
| B138616 | CHEMBL4460166 | -- | -- | 470.7 | C26H34N2O2S2 | ACID | Details |
| B138639 | CHEMBL4461490 | -- | -- | 429.48 | C25H23N3O4 | ACID | Details |
| B138646 | CHEMBL4461789 | -- | -- | 390.96 | C19H19ClN2OS2 | NEUTRAL | Details |
| B138649 | CHEMBL4461949 | -- | -- | 438.91 | C24H23ClN2O4 | ACID | Details |
| B138652 | CHEMBL4462202 | -- | -- | 453.03 | C24H21ClN2OS2 | NEUTRAL | Details |
| B138678 | CHEMBL4463341 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138690 | CHEMBL446365 | Small molecule | -- | 506.6 | C29H34N2O6 | ACID | Details |
| B138692 | CHEMBL4463828 | -- | -- | 347.41 | C22H21NO3 | ACID | Details |
| B138697 | CHEMBL4464074 | -- | -- | 386.45 | C20H19FN2O3S | NEUTRAL | Details |
| B138703 | CHEMBL4464538 | -- | -- | 490.69 | C28H30N2O2S2 | ACID | Details |
| B138707 | CHEMBL446489 | Small molecule | -- | 549.67 | C35H35NO5 | ACID | Details |
| B138708 | CHEMBL4465004 | -- | -- | 365.89 | C17H20ClN3O2S | ACID | Details |
| B138725 | CHEMBL4465521 | -- | -- | 282.77 | C15H19ClO3 | NEUTRAL | Details |
| B138728 | CHEMBL4465679 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138736 | CHEMBL4465958 | -- | -- | 379.43 | C23H22FNO3 | ACID | Details |
| B138742 | CHEMBL446629 | Small molecule | -- | 545.64 | C34H31N3O4 | ACID | Details |
| B138749 | CHEMBL4466552 | -- | -- | 502.6 | C28H38O8 | NEUTRAL | Details |
| B138755 | CHEMBL4466709 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138761 | CHEMBL4466945 | -- | -- | 344.8 | C17H17ClN4O2 | ACID | Details |
| B138762 | CHEMBL4466987 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B138764 | CHEMBL4467075 | -- | -- | 379.43 | C23H22FNO3 | ACID | Details |
| B138765 | CHEMBL4467078 | -- | -- | 587.64 | C31H36F3N3O5 | ACID | Details |
| B138770 | CHEMBL4467339 | -- | -- | 534.65 | C32H38O7 | NEUTRAL | Details |
| B138782 | CHEMBL4468237 | -- | -- | 475.49 | C28H23F2NO4 | ACID | Details |
| B138784 | CHEMBL4468359 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B138785 | CHEMBL4468381 | -- | -- | 468.0 | C23H18ClN3O2S2 | NEUTRAL | Details |
| B138792 | CHEMBL4468865 | -- | -- | 313.33 | C17H16FN3O2 | ACID | Details |
| B138794 | CHEMBL446893 | Small molecule | -- | 350.41 | C22H22O4 | ACID | Details |
| B138809 | CHEMBL4470038 | -- | -- | 355.83 | C19H18ClN3O2 | ACID | Details |
| B138814 | CHEMBL4470507 | -- | -- | 281.4 | C16H27NO3 | ACID | Details |
| B138818 | CHEMBL4470753 | -- | -- | 444.33 | C22H22BrNO4 | ACID | Details |
| B138828 | CHEMBL4471255 | -- | -- | 309.78 | C13H12ClN3O2S | ACID | Details |
| B138834 | CHEMBL4471421 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138835 | CHEMBL4471493 | -- | -- | 459.28 | C21H18INO3 | ACID | Details |
| B138837 | CHEMBL4471562 | -- | -- | 602.61 | C33H29F3N4O4 | ACID | Details |
| B138846 | CHEMBL4471853 | -- | -- | 438.91 | C24H23ClN2O4 | ACID | Details |
| B138848 | CHEMBL447190 | Small molecule | -- | 446.97 | C25H31ClO5 | ACID | Details |
| B138870 | CHEMBL4473188 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138871 | CHEMBL4473193 | -- | -- | 250.34 | C15H22O3 | NEUTRAL | Details |
| B138879 | CHEMBL4473666 | -- | -- | 620.6 | C33H28F4N4O4 | NEUTRAL | Details |
| B138886 | CHEMBL4474124 | -- | -- | 383.39 | C22H19F2NO3 | ACID | Details |
| B138890 | CHEMBL4474275 | -- | -- | 631.65 | C35H32F3N3O5 | ACID | Details |
| B138892 | CHEMBL4474407 | -- | -- | 499.08 | C21H23ClN2O4S3 | ACID | Details |
| B138906 | CHEMBL4475061 | -- | -- | 443.5 | C26H25N3O4 | NEUTRAL | Details |
| B138909 | CHEMBL4475287 | -- | -- | 250.29 | C14H18O4 | NEUTRAL | Details |
| B138910 | CHEMBL447533 | Small molecule | -- | 373.45 | C21H27NO5 | ACID | Details |
| B138917 | CHEMBL4475797 | -- | -- | 503.57 | C29H30FN3O4 | ACID | Details |
| B138919 | CHEMBL4476019 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |
| B138926 | CHEMBL4476449 | -- | -- | 362.27 | C17H12F6O2 | ACID | Details |
| B138930 | CHEMBL4476621 | -- | -- | 356.23 | C14H11Cl2N3O2S | NEUTRAL | Details |