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 | |
|---|---|---|---|---|---|---|---|
| B000601 | CHEMBL1085547 | Small molecule | -- | 452.94 | C22H29ClN2O6 | NEUTRAL | Details |
| B000602 | CHEMBL108569 | Small molecule | -- | 485.47 | C26H33BrN2O2 | BASE | Details |
| B000603 | CHEMBL1085691 | Small molecule | -- | 378.85 | C20H23ClO5 | NEUTRAL | Details |
| B000604 | CHEMBL1085721 | Small molecule | -- | 599.78 | C34H45N7O3 | BASE | Details |
| B000605 | CHEMBL1085722 | Small molecule | -- | 641.86 | C37H51N7O3 | BASE | Details |
| B000606 | CHEMBL1085723 | Small molecule | -- | 564.78 | C32H48N6O3 | BASE | Details |
| B000607 | CHEMBL108574 | Small molecule | -- | 454.26 | C20H17Cl2NO7 | ACID | Details |
| B000608 | CHEMBL1085765 | Small molecule | MECLIZINE DIHCL | 427.42 | C25H28Cl2N2 | NEUTRAL | Details |
| B000609 | CHEMBL1085769 | Small molecule | -- | 466.96 | C23H31ClN2O6 | NEUTRAL | Details |
| B000610 | CHEMBL108577 | Protein | -- | 647.61 | C30H32F3N5O8 | ACID | Details |
| B000611 | CHEMBL1085770 | Small molecule | -- | 464.95 | C23H29ClN2O6 | NEUTRAL | Details |
| B000612 | CHEMBL1085771 | Small molecule | -- | 412.9 | C18H21ClN2O5S | NEUTRAL | Details |
| B000613 | CHEMBL1085772 | Small molecule | -- | 474.97 | C23H23ClN2O5S | NEUTRAL | Details |
| B000614 | CHEMBL1085795 | Small molecule | -- | 450.54 | C26H30N2O5 | ACID | Details |
| B000615 | CHEMBL1085796 | Small molecule | -- | 460.57 | C28H32N2O4 | ACID | Details |
| B000616 | CHEMBL1085844 | Small molecule | -- | 426.92 | C19H23ClN2O5S | NEUTRAL | Details |
| B000617 | CHEMBL1085845 | Small molecule | -- | 440.95 | C20H25ClN2O5S | NEUTRAL | Details |
| B000618 | CHEMBL1085948 | Small molecule | ETHYL BROMO ACETATE | 167.0 | C4H7BrO2 | NEUTRAL | Details |
| B000619 | CHEMBL1086 | Small molecule | DIBUCAINE | 343.47 | C20H29N3O2 | BASE | Details |
| B000620 | CHEMBL1086006 | Small molecule | -- | 380.83 | C18H21ClN2O5 | NEUTRAL | Details |
| B000621 | CHEMBL1086076 | Small molecule | -- | 430.89 | C22H23ClN2O5 | NEUTRAL | Details |
| B000622 | CHEMBL1086192 | Small molecule | -- | 466.92 | C22H27ClN2O7 | NEUTRAL | Details |
| B000623 | CHEMBL1086408 | Small molecule | -- | 372.46 | C22H28O5 | NEUTRAL | Details |
| B000624 | CHEMBL1086440 | Small molecule | TRICLABENDAZOLE | 359.67 | C14H9Cl3N2OS | NEUTRAL | Details |
| B000625 | CHEMBL1086441 | Small molecule | -- | 426.92 | C19H23ClN2O5S | NEUTRAL | Details |
| B000626 | CHEMBL1086446 | Small molecule | TOLUENE DIISOCYANATE | 174.16 | C9H6N2O2 | None | Details |
| B000627 | CHEMBL1086515 | Small molecule | -- | 412.53 | C24H32N2O4 | ACID | Details |
| B000628 | CHEMBL1086516 | Small molecule | -- | 426.56 | C25H34N2O4 | ACID | Details |
| B000629 | CHEMBL108660 | Small molecule | -- | 266.3 | C17H14O3 | NEUTRAL | Details |
| B000630 | CHEMBL1086620 | Small molecule | PICRASIDINE C | 494.55 | C29H26N4O4 | NEUTRAL | Details |
| B000631 | CHEMBL1086783 | Small molecule | -- | 267.33 | C17H17NO2 | NEUTRAL | Details |
| B000632 | CHEMBL1086784 | Small molecule | -- | 301.77 | C17H16ClNO2 | NEUTRAL | Details |
| B000633 | CHEMBL1086861 | Small molecule | -- | 503.49 | C27H25F4NO4 | ACID | Details |
| B000634 | CHEMBL1086903 | Small molecule | -- | 377.53 | C24H31N3O | NEUTRAL | Details |
| B000635 | CHEMBL1087 | Small molecule | MEPIVACAINE | 246.35 | C15H22N2O | NEUTRAL | Details |
| B000636 | CHEMBL1087004 | Small molecule | -- | 438.49 | C26H22N4O3 | NEUTRAL | Details |
| B000637 | CHEMBL1087005 | Small molecule | -- | 454.49 | C26H22N4O4 | NEUTRAL | Details |
| B000638 | CHEMBL1087014 | Small molecule | -- | 410.42 | C18H17F3N4O2S | NEUTRAL | Details |
| B000639 | CHEMBL1087015 | Small molecule | -- | 426.42 | C18H17F3N4O3S | NEUTRAL | Details |
| B000640 | CHEMBL1087028 | Small molecule | -- | 469.61 | C26H36FN5O2 | BASE | Details |
| B000641 | CHEMBL108710 | Small molecule | -- | 435.43 | C21H25NO9 | NEUTRAL | Details |
| B000642 | CHEMBL1087153 | Small molecule | -- | 503.61 | C27H36F3N5O | BASE | Details |
| B000643 | CHEMBL1087180 | Small molecule | GANODERIC ACID B | 516.68 | C30H44O7 | ACID | Details |
| B000644 | CHEMBL1087336 | Small molecule | -- | 432.38 | C21H18F2N2O6 | ACID | Details |
| B000645 | CHEMBL1087339 | Small molecule | -- | 386.45 | C25H22O4 | ACID | Details |
| B000646 | CHEMBL1087375 | Small molecule | -- | 499.14 | C8H2F17NO2S | ACID | Details |
| B000647 | CHEMBL108738 | Small molecule | -- | 449.24 | C17H18Cl2N2O8 | ACID | Details |
| B000648 | CHEMBL1087460 | Small molecule | -- | 386.45 | C25H22O4 | ACID | Details |
| B000649 | CHEMBL1087461 | Small molecule | -- | 363.46 | C23H25NO3 | ACID | Details |
| B000650 | CHEMBL1087465 | Small molecule | -- | 365.43 | C22H23NO4 | ACID | Details |
| B000651 | CHEMBL1087466 | Small molecule | -- | 448.83 | C21H18ClFN2O6 | ACID | Details |
| B000652 | CHEMBL1087467 | Small molecule | -- | 444.87 | C22H21ClN2O6 | ACID | Details |
| B000653 | CHEMBL1087471 | Small molecule | -- | 446.91 | C21H19ClN2O5S | ACID | Details |
| B000654 | CHEMBL1087533 | Small molecule | -- | 477.58 | C25H34F3N5O | BASE | Details |
| B000655 | CHEMBL1087534 | Small molecule | -- | 455.58 | C25H34FN5O2 | BASE | Details |
| B000656 | CHEMBL1087535 | Small molecule | -- | 475.56 | C25H32F3N5O | BASE | Details |
| B000657 | CHEMBL1087580 | Small molecule | -- | 414.39 | C21H19FN2O6 | ACID | Details |
| B000658 | CHEMBL1087581 | Small molecule | -- | 396.4 | C21H20N2O6 | ACID | Details |
| B000659 | CHEMBL1087582 | Small molecule | -- | 410.43 | C22H22N2O6 | ACID | Details |
| B000660 | CHEMBL1087583 | Small molecule | -- | 338.4 | C21H22O4 | ACID | Details |
| B000661 | CHEMBL1087584 | Small molecule | -- | 352.43 | C22H24O4 | ACID | Details |
| B000662 | CHEMBL1087587 | Small molecule | -- | 424.45 | C23H24N2O6 | ACID | Details |
| B000663 | CHEMBL1087588 | Small molecule | -- | 366.46 | C23H26O4 | ACID | Details |
| B000664 | CHEMBL1087589 | Small molecule | -- | 380.48 | C24H28O4 | ACID | Details |
| B000665 | CHEMBL1087590 | Small molecule | -- | 480.46 | C22H19F3N2O5S | ACID | Details |
| B000666 | CHEMBL1087593 | Small molecule | -- | 426.49 | C22H22N2O5S | ACID | Details |
| B000667 | CHEMBL1087594 | Small molecule | -- | 412.47 | C21H20N2O5S | ACID | Details |
| B000668 | CHEMBL1087646 | Small molecule | -- | 289.29 | C14H15N3O4 | NEUTRAL | Details |
| B000669 | CHEMBL108766 | Small molecule | DODECANOATE | 200.32 | C12H24O2 | ACID | Details |
| B000670 | CHEMBL1087712 | Small molecule | -- | 446.91 | C21H19ClN2O5S | ACID | Details |
| B000671 | CHEMBL1087715 | Small molecule | -- | 408.54 | C26H32O4 | ACID | Details |
| B000672 | CHEMBL1087772 | Small molecule | -- | 396.39 | C17H15F3N4O2S | NEUTRAL | Details |
| B000673 | CHEMBL1087778 | Small molecule | OLEOSIDE DIMETHYL ESTER | 418.4 | C18H26O11 | NEUTRAL | Details |
| B000674 | CHEMBL108781 | Small molecule | -- | 456.28 | C20H19Cl2NO7 | ACID | Details |
| B000675 | CHEMBL1087830 | Small molecule | -- | 340.38 | C20H20O5 | ACID | Details |
| B000676 | CHEMBL1087831 | Small molecule | -- | 354.4 | C21H22O5 | ACID | Details |
| B000677 | CHEMBL1087887 | Small molecule | -- | 563.08 | C28H27ClN6O3S | NEUTRAL | Details |
| B000678 | CHEMBL1087938 | Small molecule | DIHYDROMELILOTOSIDE | 328.32 | C15H20O8 | ACID | Details |
| B000679 | CHEMBL1087991 | Small molecule | -- | 359.81 | C18H18ClN3O3 | NEUTRAL | Details |
| B000680 | CHEMBL1088020 | Small molecule | -- | 478.55 | C29H26N4O3 | NEUTRAL | Details |
| B000681 | CHEMBL1088096 | Small molecule | -- | 324.38 | C20H20O4 | NEUTRAL | Details |
| B000682 | CHEMBL1088097 | Small molecule | -- | 446.91 | C21H19ClN2O5S | ACID | Details |
| B000683 | CHEMBL1088098 | Small molecule | -- | 506.94 | C27H23ClN2O6 | ACID | Details |
| B000684 | CHEMBL1088099 | Small molecule | -- | 520.97 | C28H25ClN2O6 | ACID | Details |
| B000685 | CHEMBL1088114 | Small molecule | -- | 536.97 | C28H25ClN2O7 | ACID | Details |
| B000686 | CHEMBL1088184 | Small molecule | DIBUTYLDICHLOROSTANNANE | 303.85 | C8H18Cl2Sn | None | Details |
| B000687 | CHEMBL1088186 | Small molecule | TRIBUTYLCHLOROSTANNANE | 325.51 | C12H27ClSn | None | Details |
| B000688 | CHEMBL1088246 | Small molecule | -- | 538.96 | C28H24ClFN2O6 | ACID | Details |
| B000689 | CHEMBL1088257 | Small molecule | -- | 554.96 | C28H24ClFN2O7 | ACID | Details |
| B000690 | CHEMBL108829 | Small molecule | 2-PHENYLPHENOL | 170.21 | C12H10O | NEUTRAL | Details |
| B000691 | CHEMBL108845 | Small molecule | -- | 446.64 | C29H38N2O2 | BASE | Details |
| B000692 | CHEMBL108851 | Small molecule | -- | 150.22 | C10H14O | NEUTRAL | Details |
| B000693 | CHEMBL1088515 | Small molecule | -- | 536.97 | C28H25ClN2O7 | ACID | Details |
| B000694 | CHEMBL108861 | Small molecule | METHYLEUGENOL | 178.23 | C11H14O2 | NEUTRAL | Details |
| B000695 | CHEMBL1088666 | Small molecule | -- | 400.47 | C26H24O4 | NEUTRAL | Details |
| B000696 | CHEMBL1088751 | Small molecule | PH-797804 | 477.31 | C22H19BrF2N2O3 | NEUTRAL | Details |
| B000697 | CHEMBL1088752 | Small molecule | LOSMAPIMOD | 383.47 | C22H26FN3O2 | NEUTRAL | Details |
| B000698 | CHEMBL1088754 | Small molecule | -- | 390.31 | C15H13Cl2NO3S2 | NEUTRAL | Details |
| B000699 | CHEMBL1088810 | Small molecule | -- | 545.61 | C28H34F3N5O3 | NEUTRAL | Details |
| B000700 | CHEMBL1088860 | Small molecule | -- | 405.45 | C23H23N3O4 | NEUTRAL | Details |