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 | |
|---|---|---|---|---|---|---|---|
| B138701 | CHEMBL446446 | Small molecule | -- | 262.74 | C14H15ClN2O | NEUTRAL | Details |
| B138702 | CHEMBL4464469 | -- | -- | 457.84 | C20H19ClF3N3O4 | BASE | Details |
| B138703 | CHEMBL4464538 | -- | -- | 490.69 | C28H30N2O2S2 | ACID | Details |
| B138704 | CHEMBL446458 | Small molecule | -- | 384.43 | C15H14F2N4O2S2 | NEUTRAL | Details |
| B138705 | CHEMBL4464639 | -- | -- | 327.42 | C20H25NO3 | NEUTRAL | Details |
| B138706 | CHEMBL4464717 | -- | -- | 588.67 | C34H32N6O4 | ACID | Details |
| B138707 | CHEMBL446489 | Small molecule | -- | 549.67 | C35H35NO5 | ACID | Details |
| B138708 | CHEMBL4465004 | -- | -- | 365.89 | C17H20ClN3O2S | ACID | Details |
| B138709 | CHEMBL4465110 | -- | -- | 322.75 | C14H15ClN4O3 | NEUTRAL | Details |
| B138710 | CHEMBL4465115 | -- | -- | 450.77 | C18H18Cl3NO4S | NEUTRAL | Details |
| B138711 | CHEMBL4465154 | -- | -- | 373.41 | C19H16FNO4S | ACID | Details |
| B138712 | CHEMBL4465197 | -- | -- | 465.41 | C22H22F7NO2 | NEUTRAL | Details |
| B138713 | CHEMBL4465211 | -- | -- | 407.35 | C19H16F3N3O4 | ZWITTERION | Details |
| B138714 | CHEMBL4465272 | -- | -- | 390.49 | C23H26N4O2 | NEUTRAL | Details |
| B138715 | CHEMBL4465311 | -- | -- | 582.71 | C33H38N6O4 | ACID | Details |
| B138716 | CHEMBL4465325 | -- | -- | 509.67 | C28H35N3O4S | ACID | Details |
| B138717 | CHEMBL4465331 | -- | -- | 311.31 | C15H16F3N3O | BASE | Details |
| B138718 | CHEMBL4465341 | -- | -- | 469.54 | C28H27N3O4 | NEUTRAL | Details |
| B138719 | CHEMBL4465344 | -- | -- | 406.27 | C20H17Cl2NO4 | ACID | Details |
| B138720 | CHEMBL4465349 | -- | -- | 438.84 | C20H18ClF3N4O2 | BASE | Details |
| B138721 | CHEMBL4465351 | -- | -- | 532.63 | C24H35F3N4O4S | BASE | Details |
| B138722 | CHEMBL4465395 | -- | -- | 471.53 | C29H26FNO4 | ACID | Details |
| B138723 | CHEMBL4465451 | -- | -- | 424.38 | C19H19F3N4O4 | BASE | Details |
| B138724 | CHEMBL4465507 | -- | -- | 458.36 | C21H16F6N2O3 | BASE | Details |
| B138725 | CHEMBL4465521 | -- | -- | 282.77 | C15H19ClO3 | NEUTRAL | Details |
| B138726 | CHEMBL4465576 | -- | -- | 288.73 | C15H13ClN2O2 | NEUTRAL | Details |
| B138727 | CHEMBL4465612 | -- | -- | 368.8 | C16H18ClFN4O3 | NEUTRAL | Details |
| B138728 | CHEMBL4465679 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138729 | CHEMBL4465683 | -- | -- | 344.89 | C14H17ClN2O2S2 | NEUTRAL | Details |
| B138730 | CHEMBL44657 | Small molecule | ETOPOSIDE | 588.56 | C29H32O13 | NEUTRAL | Details |
| B138731 | CHEMBL4465702 | -- | -- | 366.42 | C23H18N4O | NEUTRAL | Details |
| B138732 | CHEMBL4465726 | -- | -- | 488.85 | C24H16ClF3N2O4 | ACID | Details |
| B138733 | CHEMBL4465768 | -- | -- | 456.34 | C22H22BrN3O3 | NEUTRAL | Details |
| B138734 | CHEMBL4465839 | -- | -- | 308.38 | C16H24N2O4 | NEUTRAL | Details |
| B138735 | CHEMBL4465866 | -- | -- | 901.82 | C49H54BF2N7O7 | None | Details |
| B138736 | CHEMBL4465958 | -- | -- | 379.43 | C23H22FNO3 | ACID | Details |
| B138737 | CHEMBL4465977 | -- | -- | 298.73 | C13H15ClN2O4 | NEUTRAL | Details |
| B138738 | CHEMBL4466027 | -- | -- | 359.86 | C18H22ClN5O | NEUTRAL | Details |
| B138739 | CHEMBL4466036 | -- | -- | 384.48 | C25H24N2O2 | ACID | Details |
| B138740 | CHEMBL4466082 | -- | -- | 502.74 | C34H46O3 | NEUTRAL | Details |
| B138741 | CHEMBL4466241 | -- | -- | 570.69 | C33H38N4O5 | ACID | Details |
| B138742 | CHEMBL446629 | Small molecule | -- | 545.64 | C34H31N3O4 | ACID | Details |
| B138743 | CHEMBL4466386 | -- | -- | 446.67 | C28H46O4 | NEUTRAL | Details |
| B138744 | CHEMBL4466393 | -- | -- | 468.58 | C28H24N2O3S | NEUTRAL | Details |
| B138745 | CHEMBL44664 | Small molecule | -- | 190.2 | C11H10O3 | ACID | Details |
| B138746 | CHEMBL4466467 | -- | -- | 443.81 | C19H17ClF3N3O4 | ZWITTERION | Details |
| B138747 | CHEMBL4466509 | -- | -- | 264.32 | C15H20O4 | NEUTRAL | Details |
| B138748 | CHEMBL4466536 | -- | -- | 556.93 | C19H24Cl3N5O4S2 | NEUTRAL | Details |
| B138749 | CHEMBL4466552 | -- | -- | 502.6 | C28H38O8 | NEUTRAL | Details |
| B138750 | CHEMBL4466569 | -- | -- | 510.55 | C29H26N4O5 | NEUTRAL | Details |
| B138751 | CHEMBL4466578 | -- | -- | 403.48 | C24H25N3O3 | NEUTRAL | Details |
| B138752 | CHEMBL4466662 | -- | -- | 471.55 | C26H33NO7 | NEUTRAL | Details |
| B138753 | CHEMBL4466667 | -- | -- | 4701.24 | C206H316N54O68S2 | None | Details |
| B138754 | CHEMBL4466690 | -- | -- | 220.32 | C7H12N2O2S2 | NEUTRAL | Details |
| B138755 | CHEMBL4466709 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138756 | CHEMBL4466711 | -- | -- | 341.45 | C21H27NO3 | NEUTRAL | Details |
| B138757 | CHEMBL4466719 | -- | -- | 390.83 | C18H19ClN4O4 | NEUTRAL | Details |
| B138758 | CHEMBL4466774 | -- | -- | 481.45 | C17H18Cl2N2O4S3 | NEUTRAL | Details |
| B138759 | CHEMBL4466816 | -- | -- | 430.86 | C19H22ClF3N4O2 | BASE | Details |
| B138760 | CHEMBL4466846 | -- | -- | 542.94 | C28H22ClF3N2O4 | NEUTRAL | Details |
| B138761 | CHEMBL4466945 | -- | -- | 344.8 | C17H17ClN4O2 | ACID | Details |
| B138762 | CHEMBL4466987 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B138763 | CHEMBL4467008 | -- | -- | 528.73 | C32H48O6 | NEUTRAL | Details |
| B138764 | CHEMBL4467075 | -- | -- | 379.43 | C23H22FNO3 | ACID | Details |
| B138765 | CHEMBL4467078 | -- | -- | 587.64 | C31H36F3N3O5 | ACID | Details |
| B138766 | CHEMBL4467095 | -- | -- | 386.25 | C19H16BrNO3 | NEUTRAL | Details |
| B138767 | CHEMBL4467159 | -- | -- | 454.28 | C17H20Cl2F3N5O2 | BASE | Details |
| B138768 | CHEMBL4467197 | -- | -- | 366.8 | C17H19ClN2O5 | NEUTRAL | Details |
| B138769 | CHEMBL4467234 | -- | -- | 404.9 | C15H22ClFN6O2S | BASE | Details |
| B138770 | CHEMBL4467339 | -- | -- | 534.65 | C32H38O7 | NEUTRAL | Details |
| B138771 | CHEMBL4467411 | -- | -- | 332.43 | C11H12N2O4S3 | NEUTRAL | Details |
| B138772 | CHEMBL4467589 | -- | -- | 508.42 | C21H22F6N4O4 | BASE | Details |
| B138773 | CHEMBL4467697 | -- | -- | 292.73 | C13H13ClN4O2 | NEUTRAL | Details |
| B138774 | CHEMBL4467708 | -- | -- | 341.45 | C21H27NO3 | NEUTRAL | Details |
| B138775 | CHEMBL4467778 | -- | -- | 246.31 | C15H18O3 | NEUTRAL | Details |
| B138776 | CHEMBL4467827 | -- | -- | 174.2 | C10H10N2O | BASE | Details |
| B138777 | CHEMBL4467908 | -- | -- | 340.86 | C14H13ClN2O2S2 | NEUTRAL | Details |
| B138778 | CHEMBL4467971 | -- | -- | 635.6 | C33H31F6NO5 | ACID | Details |
| B138779 | CHEMBL4468084 | -- | -- | 556.62 | C30H32N6O5 | ACID | Details |
| B138780 | CHEMBL4468175 | -- | -- | 490.43 | C19H21Cl2N3O4S2 | NEUTRAL | Details |
| B138781 | CHEMBL4468215 | -- | -- | 390.92 | C18H15ClN2O2S2 | NEUTRAL | Details |
| B138782 | CHEMBL4468237 | -- | -- | 475.49 | C28H23F2NO4 | ACID | Details |
| B138783 | CHEMBL446827 | Small molecule | -- | 284.27 | C16H12O5 | NEUTRAL | Details |
| B138784 | CHEMBL4468359 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B138785 | CHEMBL4468381 | -- | -- | 468.0 | C23H18ClN3O2S2 | NEUTRAL | Details |
| B138786 | CHEMBL4468404 | -- | -- | 235.67 | C12H10ClNO2 | NEUTRAL | Details |
| B138787 | CHEMBL446842 | Small molecule | -- | 642.71 | C34H38N6O7 | NEUTRAL | Details |
| B138788 | CHEMBL4468424 | -- | -- | 476.52 | C18H15F3N2O4S3 | NEUTRAL | Details |
| B138789 | CHEMBL4468572 | -- | -- | 473.84 | C15H19Cl3N4O3S2 | NEUTRAL | Details |
| B138790 | CHEMBL4468637 | -- | -- | 606.66 | C34H31FN6O4 | ACID | Details |
| B138791 | CHEMBL4468716 | -- | -- | 427.87 | C21H19ClFN5O2 | NEUTRAL | Details |
| B138792 | CHEMBL4468865 | -- | -- | 313.33 | C17H16FN3O2 | ACID | Details |
| B138793 | CHEMBL4468907 | -- | -- | 445.87 | C20H23ClF3N3O3 | BASE | Details |
| B138794 | CHEMBL446893 | Small molecule | -- | 350.41 | C22H22O4 | ACID | Details |
| B138795 | CHEMBL4469105 | -- | -- | 352.4 | C22H16N4O | NEUTRAL | Details |
| B138796 | CHEMBL4469210 | -- | -- | 488.46 | C25H23F3N2O5 | ACID | Details |
| B138797 | CHEMBL4469240 | -- | -- | 376.84 | C14H18ClFN4O3S | BASE | Details |
| B138798 | CHEMBL4469350 | -- | -- | 528.12 | C28H34ClN3O3S | ACID | Details |
| B138799 | CHEMBL4469376 | -- | -- | 383.4 | C21H21NO6 | ACID | Details |
| B138800 | CHEMBL4469413 | -- | -- | 353.36 | C18H16FN5O2 | NEUTRAL | Details |