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 | |
|---|---|---|---|---|---|---|---|
| B139601 | CHEMBL4553535 | -- | -- | 333.82 | C16H20ClN5O | NEUTRAL | Details |
| B139602 | CHEMBL455357 | Small molecule | -- | 426.73 | C30H50O | NEUTRAL | Details |
| B139603 | CHEMBL4553792 | -- | -- | 240.27 | C13H12N4O | BASE | Details |
| B139604 | CHEMBL4553877 | -- | -- | 410.39 | C24H14N2O5 | ACID | Details |
| B139605 | CHEMBL4554040 | -- | -- | 669.86 | C37H55N3O8 | BASE | Details |
| B139606 | CHEMBL4554066 | -- | -- | 469.18 | C18H19Br2N3O2 | NEUTRAL | Details |
| B139607 | CHEMBL4554097 | -- | -- | 369.83 | C16H21ClFN5O2 | BASE | Details |
| B139608 | CHEMBL4554466 | -- | -- | 910.09 | C43H67N13O9 | ZWITTERION | Details |
| B139609 | CHEMBL4554746 | -- | -- | 417.3 | C20H18Cl2N4O2 | NEUTRAL | Details |
| B139610 | CHEMBL455491 | Small molecule | MYRCENE | 136.24 | C10H16 | None | Details |
| B139611 | CHEMBL4555119 | -- | -- | 911.08 | C42H66N14O9 | BASE | Details |
| B139612 | CHEMBL4555200 | -- | -- | 310.44 | C14H18N2O2S2 | NEUTRAL | Details |
| B139613 | CHEMBL455524 | Small molecule | -- | 588.63 | C33H33FN2O7 | ACID | Details |
| B139614 | CHEMBL4555317 | -- | -- | 452.51 | C28H24N2O4 | ACID | Details |
| B139615 | CHEMBL4555353 | -- | -- | 280.32 | C18H16O3 | NEUTRAL | Details |
| B139616 | CHEMBL4555407 | -- | -- | 399.49 | C25H25N3O2 | NEUTRAL | Details |
| B139617 | CHEMBL4555459 | -- | -- | 481.6 | C28H31N7O | NEUTRAL | Details |
| B139618 | CHEMBL4555704 | -- | -- | 357.41 | C22H19N3O2 | BASE | Details |
| B139619 | CHEMBL4555782 | -- | -- | 430.47 | C22H22N8O2 | NEUTRAL | Details |
| B139620 | CHEMBL4555785 | -- | -- | 388.26 | C18H18BrN3O2 | ACID | Details |
| B139621 | CHEMBL4555840 | -- | -- | 530.75 | C32H50O6 | NEUTRAL | Details |
| B139622 | CHEMBL4555884 | -- | -- | 484.09 | C16H11BrIN3O2 | NEUTRAL | Details |
| B139623 | CHEMBL4555929 | -- | -- | 292.38 | C17H24O4 | NEUTRAL | Details |
| B139624 | CHEMBL4556001 | -- | -- | 178.21 | C10H11FN2 | BASE | Details |
| B139625 | CHEMBL4556070 | -- | -- | 980.18 | C47H73N13O10 | ZWITTERION | Details |
| B139626 | CHEMBL4556183 | -- | -- | 673.79 | C40H40FN5O4 | NEUTRAL | Details |
| B139627 | CHEMBL4556277 | -- | -- | 337.83 | C15H16ClN3O2S | ACID | Details |
| B139628 | CHEMBL4556342 | -- | -- | 297.7 | C15H8ClN3O2 | NEUTRAL | Details |
| B139629 | CHEMBL4556371 | -- | -- | 147.18 | C8H9N3 | BASE | Details |
| B139630 | CHEMBL4556396 | -- | -- | 566.66 | C32H34N6O4 | ACID | Details |
| B139631 | CHEMBL4556462 | -- | -- | 369.44 | C20H19NO4S | ACID | Details |
| B139632 | CHEMBL4556579 | -- | -- | 507.94 | C25H25ClF3N3O3 | NEUTRAL | Details |
| B139633 | CHEMBL4556626 | -- | -- | 469.54 | C28H27N3O4 | NEUTRAL | Details |
| B139634 | CHEMBL4556659 | -- | -- | 628.17 | C35H38ClN5O4 | NEUTRAL | Details |
| B139635 | CHEMBL4556693 | -- | -- | 485.62 | C26H27N7OS | NEUTRAL | Details |
| B139636 | CHEMBL4556698 | -- | -- | 197.69 | C9H8ClNS | NEUTRAL | Details |
| B139637 | CHEMBL455682 | Small molecule | -- | 516.47 | C26H31Cl2N5O2 | BASE | Details |
| B139638 | CHEMBL455683 | Small molecule | -- | 494.59 | C28H32F2N4O2 | BASE | Details |
| B139639 | CHEMBL4556859 | -- | -- | 389.88 | C15H21ClFN5O2S | BASE | Details |
| B139640 | CHEMBL4556885 | -- | -- | 147.18 | C8H9N3 | BASE | Details |
| B139641 | CHEMBL4557026 | -- | ERKi-NC | 312.33 | C15H16N6O2 | NEUTRAL | Details |
| B139642 | CHEMBL4557173 | -- | -- | 429.48 | C25H23N3O4 | ACID | Details |
| B139643 | CHEMBL4557289 | -- | -- | 565.63 | C33H31N3O6 | ACID | Details |
| B139644 | CHEMBL4557359 | -- | -- | 558.8 | C34H54O6 | NEUTRAL | Details |
| B139645 | CHEMBL4557538 | -- | -- | 372.86 | C18H21ClN6O | NEUTRAL | Details |
| B139646 | CHEMBL4557615 | -- | -- | 270.15 | C10H8BrNOS | BASE | Details |
| B139647 | CHEMBL4557705 | -- | -- | 552.55 | C30H27F3N2O5 | ACID | Details |
| B139648 | CHEMBL4557783 | -- | -- | 386.86 | C15H19ClN4O4S | NEUTRAL | Details |
| B139649 | CHEMBL4557916 | -- | -- | 446.35 | C19H21Cl2NO5S | NEUTRAL | Details |
| B139650 | CHEMBL4557984 | -- | -- | 962.07 | C43H65F2N13O10 | ZWITTERION | Details |
| B139651 | CHEMBL4558088 | -- | -- | 385.82 | C21H17ClFNO3 | ACID | Details |
| B139652 | CHEMBL4558284 | -- | -- | 399.45 | C25H21NO4 | ACID | Details |
| B139653 | CHEMBL4558372 | -- | -- | 241.67 | C11H12ClNO3 | NEUTRAL | Details |
| B139654 | CHEMBL4558373 | -- | -- | 482.5 | C27H25F3N2O3 | NEUTRAL | Details |
| B139655 | CHEMBL4558447 | -- | -- | 429.48 | C25H23N3O4 | NEUTRAL | Details |
| B139656 | CHEMBL455853 | Small molecule | -- | 483.52 | C29H25NO6 | NEUTRAL | Details |
| B139657 | CHEMBL455856 | Small molecule | -- | 269.33 | C11H15N3O3S | None | Details |
| B139658 | CHEMBL4558588 | -- | -- | 181.24 | C9H8FNS | BASE | Details |
| B139659 | CHEMBL4558595 | -- | -- | 391.56 | C26H33NO2 | NEUTRAL | Details |
| B139660 | CHEMBL4558662 | -- | -- | 435.81 | C18H18ClF4N3O3 | BASE | Details |
| B139661 | CHEMBL4558793 | -- | -- | 541.5 | C29H23F4NO5 | ACID | Details |
| B139662 | CHEMBL455885 | Small molecule | -- | 268.35 | C15H24O4 | NEUTRAL | Details |
| B139663 | CHEMBL4558865 | -- | -- | 549.46 | C24H18F7NO4S | NEUTRAL | Details |
| B139664 | CHEMBL4558880 | -- | -- | 381.35 | C18H18F3N3O3 | ACID | Details |
| B139665 | CHEMBL4558883 | -- | -- | 600.19 | C32H34ClN7OS | ACID | Details |
| B139666 | CHEMBL4558987 | -- | -- | 366.4 | C15H18N4O5S | NEUTRAL | Details |
| B139667 | CHEMBL4558999 | -- | -- | 291.74 | C13H14ClN5O | NEUTRAL | Details |
| B139668 | CHEMBL4559036 | -- | -- | 347.8 | C18H18ClNO4 | NEUTRAL | Details |
| B139669 | CHEMBL4559060 | -- | -- | 436.87 | C21H20ClF3N4O | BASE | Details |
| B139670 | CHEMBL4559224 | -- | -- | 419.81 | C18H18ClF4N3O2 | BASE | Details |
| B139671 | CHEMBL4559239 | -- | -- | 790.93 | C34H58N14O8 | BASE | Details |
| B139672 | CHEMBL4559286 | -- | -- | 427.46 | C22H25N3O6 | NEUTRAL | Details |
| B139673 | CHEMBL455936 | Small molecule | -- | 449.96 | C24H20ClN3O2S | ACID | Details |
| B139674 | CHEMBL455940 | Small molecule | -- | 280.3 | C18H13FO2 | ACID | Details |
| B139675 | CHEMBL4559421 | -- | -- | 1016.08 | C43H65N15O14 | None | Details |
| B139676 | CHEMBL4559460 | -- | -- | 532.96 | C28H22ClFN4O4 | ACID | Details |
| B139677 | CHEMBL4559492 | -- | -- | 444.96 | C23H29ClN4O3 | NEUTRAL | Details |
| B139678 | CHEMBL4559508 | -- | -- | 266.37 | C16H14N2S | NEUTRAL | Details |
| B139679 | CHEMBL455957 | Small molecule | -- | 427.39 | C21H21F4NO4 | ACID | Details |
| B139680 | CHEMBL4559863 | -- | -- | 453.3 | C17H13F6N3O5 | ZWITTERION | Details |
| B139681 | CHEMBL4559936 | -- | -- | 613.73 | C35H35N9O2 | BASE | Details |
| B139682 | CHEMBL4559944 | -- | -- | 299.32 | C14H21NO6 | NEUTRAL | Details |
| B139683 | CHEMBL4559986 | -- | -- | 1401.59 | C69H92N16O16 | None | Details |
| B139684 | CHEMBL456 | Small molecule | ETHACRYNIC ACID | 303.14 | C13H12Cl2O4 | ACID | Details |
| B139685 | CHEMBL4560147 | -- | -- | 514.75 | C32H50O5 | NEUTRAL | Details |
| B139686 | CHEMBL4560168 | -- | -- | 364.79 | C16H17ClN4O4 | ACID | Details |
| B139687 | CHEMBL4560173 | -- | -- | 366.8 | C17H19ClN2O5 | NEUTRAL | Details |
| B139688 | CHEMBL456018 | Small molecule | -- | 494.68 | C32H38N4O | NEUTRAL | Details |
| B139689 | CHEMBL4560188 | -- | -- | 544.65 | C31H36N4O5 | ACID | Details |
| B139690 | CHEMBL456019 | Small molecule | -- | 517.71 | C32H43N3O3 | BASE | Details |
| B139691 | CHEMBL4560224 | -- | -- | 897.06 | C40H64N16O8 | BASE | Details |
| B139692 | CHEMBL4560241 | -- | BI 0153 | 430.47 | C22H22N8O2 | NEUTRAL | Details |
| B139693 | CHEMBL4560589 | -- | MLi-2-NC | 393.49 | C22H27N5O2 | NEUTRAL | Details |
| B139694 | CHEMBL456071 | Small molecule | HALOFENATE | 415.8 | C19H17ClF3NO4 | NEUTRAL | Details |
| B139695 | CHEMBL456072 | Small molecule | -- | 352.39 | C17H24N2O6 | NEUTRAL | Details |
| B139696 | CHEMBL4560747 | -- | -- | 298.32 | C17H15FN2O2 | BASE | Details |
| B139697 | CHEMBL4560767 | -- | -- | 456.63 | C24H28N2O3S2 | ACID | Details |
| B139698 | CHEMBL4560787 | -- | -- | 432.36 | C20H15F3N4O4 | NEUTRAL | Details |
| B139699 | CHEMBL4560828 | -- | -- | 384.87 | C20H21ClN4O2 | NEUTRAL | Details |
| B139700 | CHEMBL4560865 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |