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 | |
|---|---|---|---|---|---|---|---|
| B145395 | CHEMBL80671 | Small molecule | -- | 416.86 | C21H21ClN2O5 | ACID | Details |
| B145400 | CHEMBL80772 | Small molecule | -- | 400.41 | C21H21FN2O5 | ACID | Details |
| B145401 | CHEMBL80791 | Small molecule | -- | 464.44 | C23H23F3N2O5 | ACID | Details |
| B145407 | CHEMBL80905 | Small molecule | -- | 466.41 | C22H21F3N2O6 | ACID | Details |
| B145409 | CHEMBL80979 | Small molecule | -- | 532.44 | C24H22F6N2O5 | ACID | Details |
| B145412 | CHEMBL81208 | Small molecule | -- | 443.5 | C27H25NO5 | ACID | Details |
| B145414 | CHEMBL81248 | Small molecule | -- | 457.53 | C28H27NO5 | ACID | Details |
| B145419 | CHEMBL81379 | Small molecule | RETINAL | 284.44 | C20H28O | NEUTRAL | Details |
| B145421 | CHEMBL8145 | Small molecule | DAIDZEIN | 254.24 | C15H10O4 | ACID | Details |
| B145423 | CHEMBL81592 | Small molecule | -- | 457.53 | C28H27NO5 | ACID | Details |
| B145426 | CHEMBL81676 | Small molecule | -- | 533.62 | C34H31NO5 | ACID | Details |
| B145435 | CHEMBL81985 | Small molecule | -- | 378.49 | C19H26N2O4S | NEUTRAL | Details |
| B145437 | CHEMBL82034 | Small molecule | -- | 457.53 | C28H27NO5 | ACID | Details |
| B145438 | CHEMBL82041 | Small molecule | -- | 434.6 | C23H34N2O4S | NEUTRAL | Details |
| B145441 | CHEMBL82193 | Small molecule | -- | 499.61 | C31H33NO5 | ACID | Details |
| B145445 | CHEMBL82293 | Small molecule | PALMITIC ACID | 256.43 | C16H32O2 | ACID | Details |
| B145451 | CHEMBL82602 | Small molecule | -- | 463.56 | C26H25NO5S | ACID | Details |
| B145453 | CHEMBL828 | Small molecule | PHENOTHIAZINE | 199.28 | C12H9NS | NEUTRAL | Details |
| B145455 | CHEMBL82846 | Small molecule | -- | 267.16 | C13H12Cl2N2 | NEUTRAL | Details |
| B145462 | CHEMBL83058 | Small molecule | -- | 362.45 | C18H22N2O4S | NEUTRAL | Details |
| B145463 | CHEMBL83059 | Small molecule | -- | 364.47 | C18H24N2O4S | NEUTRAL | Details |
| B145466 | CHEMBL83154 | Small molecule | 2-AMINOANTHRACENE | 193.25 | C14H11N | NEUTRAL | Details |
| B145470 | CHEMBL83275 | Small molecule | -- | 364.47 | C18H24N2O4S | NEUTRAL | Details |
| B145476 | CHEMBL83489 | Small molecule | -- | 362.45 | C18H22N2O4S | NEUTRAL | Details |
| B145478 | CHEMBL83552 | Small molecule | -- | 225.29 | C14H15N3 | NEUTRAL | Details |
| B145479 | CHEMBL83612 | Small molecule | -- | 388.49 | C20H24N2O4S | NEUTRAL | Details |
| B145481 | CHEMBL83677 | Small molecule | -- | 378.49 | C19H26N2O4S | NEUTRAL | Details |
| B145484 | CHEMBL83747 | Small molecule | PSAMMAPLIN A | 664.4 | C22H24Br2N4O6S2 | NEUTRAL | Details |
| B145489 | CHEMBL83875 | Small molecule | -- | 406.55 | C21H30N2O4S | NEUTRAL | Details |
| B145491 | CHEMBL83924 | Small molecule | -- | 406.55 | C21H30N2O4S | NEUTRAL | Details |
| B145502 | CHEMBL84181 | Small molecule | -- | 392.52 | C20H28N2O4S | NEUTRAL | Details |
| B145505 | CHEMBL843 | Small molecule | ROSIGLITAZONE MALEATE | 473.51 | C22H23N3O7S | NEUTRAL | Details |
| B145507 | CHEMBL84326 | Small molecule | -- | 348.42 | C17H20N2O4S | NEUTRAL | Details |
| B145511 | CHEMBL84422 | Small molecule | -- | 348.42 | C17H20N2O4S | NEUTRAL | Details |
| B145513 | CHEMBL84491 | Small molecule | -- | 420.58 | C22H32N2O4S | NEUTRAL | Details |
| B145516 | CHEMBL84826 | Small molecule | -- | 350.44 | C17H22N2O4S | NEUTRAL | Details |
| B145523 | CHEMBL852 | Small molecule | MELPHALAN | 305.21 | C13H18Cl2N2O2 | ZWITTERION | Details |
| B145540 | CHEMBL8659 | Small molecule | OLEIC ACID | 282.47 | C18H34O2 | ACID | Details |
| B145541 | CHEMBL866 | Small molecule | MYCOPHENOLIC ACID | 320.34 | C17H20O6 | ACID | Details |
| B145542 | CHEMBL86657 | Small molecule | -- | 405.49 | C25H27NO4 | ACID | Details |
| B145543 | CHEMBL86658 | Small molecule | -- | 403.48 | C25H25NO4 | ACID | Details |
| B145544 | CHEMBL86688 | Small molecule | -- | 481.39 | C26H25BrO4 | ACID | Details |
| B145548 | CHEMBL86817 | Small molecule | -- | 534.61 | C34H30O6 | ACID | Details |
| B145549 | CHEMBL8682 | Small molecule | -- | 224.17 | C9H8N2O5 | ACID | Details |
| B145560 | CHEMBL87307 | Small molecule | -- | 560.28 | C26H24Br2O4 | ACID | Details |
| B145561 | CHEMBL87380 | Small molecule | -- | 430.54 | C28H30O4 | ACID | Details |
| B145562 | CHEMBL8739 | Small molecule | LINOLENIC ACID | 278.44 | C18H30O2 | ACID | Details |
| B145569 | CHEMBL87928 | Small molecule | -- | 468.55 | C30H28O5 | ACID | Details |
| B145591 | CHEMBL88740 | Small molecule | -- | 356.51 | C23H32O3 | ACID | Details |
| B145598 | CHEMBL88917 | Small molecule | -- | 289.36 | C14H15N3O2S | ACID | Details |
| B145608 | CHEMBL89152 | Small molecule | -- | 481.39 | C26H25BrO4 | ACID | Details |
| B145629 | CHEMBL89996 | Small molecule | -- | 468.55 | C30H28O5 | ACID | Details |
| B145657 | CHEMBL90568 | Small molecule | DIOSMETIN | 300.27 | C16H12O6 | NEUTRAL | Details |
| B145715 | CHEMBL91732 | Small molecule | ALDICARB | 190.27 | C7H14N2O2S | NEUTRAL | Details |
| B145722 | CHEMBL91979 | Small molecule | -- | 406.53 | C25H30N2O3 | ACID | Details |
| B145728 | CHEMBL92130 | Small molecule | -- | 507.61 | C28H29NO6S | ACID | Details |
| B145732 | CHEMBL92243 | Small molecule | -- | 416.58 | C26H37FO3 | ACID | Details |
| B145740 | CHEMBL92447 | Small molecule | -- | 447.62 | C29H37NO3 | ACID | Details |
| B145746 | CHEMBL92798 | Small molecule | -- | 433.59 | C28H35NO3 | ACID | Details |
| B145755 | CHEMBL93128 | Small molecule | -- | 433.59 | C28H35NO3 | ACID | Details |
| B145762 | CHEMBL93246 | Small molecule | -- | 461.65 | C30H39NO3 | ACID | Details |
| B145768 | CHEMBL935 | Small molecule | PENTAMIDINE ISETHIONATE | 466.56 | C21H30N4O6S | BASE | Details |
| B145769 | CHEMBL9352 | Small molecule | NARINGENIN | 272.26 | C15H12O5 | NEUTRAL | Details |
| B145771 | CHEMBL93571 | Small molecule | -- | 394.54 | C24H26O3S | ACID | Details |
| B145794 | CHEMBL9419 | Small molecule | METACETAMOL | 151.16 | C8H9NO2 | NEUTRAL | Details |
| B145795 | CHEMBL942 | Small molecule | BISACODYL | 361.4 | C22H19NO4 | NEUTRAL | Details |
| B145796 | CHEMBL94306 | Small molecule | -- | 477.58 | C27H27NO5S | ACID | Details |
| B145798 | CHEMBL94397 | Small molecule | -- | 493.58 | C27H27NO6S | ACID | Details |
| B145799 | CHEMBL94496 | Small molecule | -- | 519.66 | C30H33NO5S | ACID | Details |
| B145803 | CHEMBL94716 | Small molecule | -- | 533.69 | C31H35NO5S | ACID | Details |
| B145825 | CHEMBL96107 | Small molecule | -- | 435.5 | C24H21NO5S | ACID | Details |
| B145826 | CHEMBL96143 | Small molecule | -- | 509.6 | C28H28FNO5S | ACID | Details |
| B145835 | CHEMBL96451 | Small molecule | -- | 495.57 | C27H26FNO5S | ACID | Details |
| B145839 | CHEMBL96758 | Small molecule | -- | 553.68 | C33H31NO5S | ACID | Details |
| B145847 | CHEMBL97529 | Small molecule | -- | 545.7 | C32H35NO5S | ACID | Details |
| B145853 | CHEMBL97797 | Small molecule | -- | 180.23 | C8H8N2OS | NEUTRAL | Details |
| B145857 | CHEMBL981 | Small molecule | FENOFIBRIC ACID | 318.76 | C17H15ClO4 | ACID | Details |
| B145867 | CHEMBL986 | Small molecule | RETINOL | 286.46 | C20H30O | NEUTRAL | Details |
| B145870 | CHEMBL99 | Small molecule | TRICHOSTATIN | 302.37 | C17H22N2O3 | NEUTRAL | Details |