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 | |
|---|---|---|---|---|---|---|---|
| B137801 | CHEMBL430651 | Small molecule | -- | 469.57 | C28H33F2NO3 | ACID | Details |
| B137802 | CHEMBL43078 | Small molecule | -- | 227.27 | C12H13N5 | BASE | Details |
| B137803 | CHEMBL430792 | Small molecule | -- | 720.86 | C38H45FN4O7S | ACID | Details |
| B137804 | CHEMBL430818 | Small molecule | -- | 471.67 | C26H37N3O3S | BASE | Details |
| B137805 | CHEMBL430839 | Small molecule | -- | 573.52 | C28H26F3N3O7 | ACID | Details |
| B137806 | CHEMBL430867 | Small molecule | -- | 517.71 | C32H43N3O3 | BASE | Details |
| B137807 | CHEMBL430894 | Small molecule | -- | 455.86 | C22H21ClF3NO4 | ACID | Details |
| B137808 | CHEMBL430905 | Small molecule | -- | 503.69 | C31H41N3O3 | BASE | Details |
| B137809 | CHEMBL430970 | Small molecule | -- | 553.68 | C33H31NO5S | ACID | Details |
| B137810 | CHEMBL430997 | Small molecule | -- | 547.67 | C31H33N9O | ACID | Details |
| B137811 | CHEMBL431009 | Small molecule | -- | 515.72 | C28H41N3O4S | NEUTRAL | Details |
| B137812 | CHEMBL431111 | Small molecule | -- | 536.72 | C29H32N2O4S2 | NEUTRAL | Details |
| B137813 | CHEMBL43128 | Small molecule | PRIMAQUINE PHOSPHATE | 455.34 | C15H27N3O9P2 | BASE | Details |
| B137814 | CHEMBL431293 | Small molecule | -- | 517.6 | C28H29FNNaO4S | ACID | Details |
| B137815 | CHEMBL431303 | Small molecule | -- | 551.59 | C31H31FN3NaO4 | ACID | Details |
| B137816 | CHEMBL431313 | Small molecule | -- | 770.79 | C36H46N6O13 | ACID | Details |
| B137817 | CHEMBL431348 | Small molecule | -- | 574.7 | C31H34N4O5S | ACID | Details |
| B137818 | CHEMBL431448 | Small molecule | -- | 434.54 | C26H30N2O4 | ZWITTERION | Details |
| B137819 | CHEMBL431450 | Small molecule | -- | 490.6 | C30H34O6 | ACID | Details |
| B137820 | CHEMBL431525 | Small molecule | BETUNOLIC ACID | 454.7 | C30H46O3 | ACID | Details |
| B137821 | CHEMBL431683 | Small molecule | -- | 705.5 | C30H23Cl2FN4O9S | ACID | Details |
| B137822 | CHEMBL431701 | Small molecule | SILYBIN A | 482.44 | C25H22O10 | NEUTRAL | Details |
| B137823 | CHEMBL431714 | Small molecule | -- | 566.66 | C30H38N4O7 | ACID | Details |
| B137824 | CHEMBL431733 | Small molecule | NAMODENOSON | 544.74 | C18H18ClIN6O4 | NEUTRAL | Details |
| B137825 | CHEMBL431795 | Small molecule | -- | 527.13 | C29H35ClN2O3S | BASE | Details |
| B137826 | CHEMBL43184 | Small molecule | AMINACRINE | 194.24 | C13H10N2 | BASE | Details |
| B137827 | CHEMBL431848 | Small molecule | -- | 349.36 | C16H15NO6S | ACID | Details |
| B137828 | CHEMBL43185 | Small molecule | PIPERINE | 285.34 | C17H19NO3 | NEUTRAL | Details |
| B137829 | CHEMBL431852 | Small molecule | -- | 582.7 | C34H38N4O5 | BASE | Details |
| B137830 | CHEMBL431869 | Small molecule | -- | 342.39 | C20H22O5 | ACID | Details |
| B137831 | CHEMBL432010 | Small molecule | -- | 524.75 | C29H36N2O3S2 | BASE | Details |
| B137832 | CHEMBL432040 | Small molecule | -- | 557.18 | C29H33ClN2O3S2 | NEUTRAL | Details |
| B137833 | CHEMBL432162 | Small molecule | TASOSARTAN | 411.47 | C23H21N7O | ACID | Details |
| B137834 | CHEMBL432170 | Small molecule | -- | 531.67 | C29H40F3N5O | BASE | Details |
| B137835 | CHEMBL432182 | Small molecule | -- | 591.82 | C34H45N3O4S | NEUTRAL | Details |
| B137836 | CHEMBL432331 | Small molecule | -- | 489.57 | C24H28FN3O5S | ACID | Details |
| B137837 | CHEMBL432360 | Small molecule | -- | 619.79 | C33H41N5O5S | BASE | Details |
| B137838 | CHEMBL432596 | Small molecule | -- | 532.77 | C34H48N2O3 | ZWITTERION | Details |
| B137839 | CHEMBL432713 | Small molecule | -- | 500.47 | C27H31Cl2N3O2 | BASE | Details |
| B137840 | CHEMBL432747 | Small molecule | -- | 420.58 | C22H32N2O4S | NEUTRAL | Details |
| B137841 | CHEMBL432965 | Protein | -- | 647.61 | C30H32F3N5O8 | ACID | Details |
| B137842 | CHEMBL433081 | Small molecule | -- | 458.43 | C25H29Cl2N3O | BASE | Details |
| B137843 | CHEMBL433169 | Small molecule | -- | 442.32 | C19H17Cl2NO5S | ACID | Details |
| B137844 | CHEMBL433257 | Small molecule | HARRINGTONINE | 531.6 | C28H37NO9 | BASE | Details |
| B137845 | CHEMBL433306 | Small molecule | -- | 396.44 | C22H24N2O5 | ACID | Details |
| B137846 | CHEMBL433314 | Small molecule | -- | 345.44 | C16H31N3O5 | NEUTRAL | Details |
| B137847 | CHEMBL433316 | Small molecule | -- | 464.44 | C23H23F3N2O5 | ACID | Details |
| B137848 | CHEMBL433416 | Small molecule | -- | 424.5 | C24H28N2O5 | NEUTRAL | Details |
| B137849 | CHEMBL43343 | Small molecule | -- | 770.75 | C35H42N6O14 | ACID | Details |
| B137850 | CHEMBL43344 | Small molecule | -- | 652.71 | C32H40N6O9 | ACID | Details |
| B137851 | CHEMBL433512 | Small molecule | -- | 426.69 | C29H46O2 | NEUTRAL | Details |
| B137852 | CHEMBL433629 | Small molecule | -- | 465.46 | C21H27N3O9 | ACID | Details |
| B137853 | CHEMBL433635 | Small molecule | -- | 459.68 | C30H41N3O | BASE | Details |
| B137854 | CHEMBL433680 | Small molecule | ANGUIDIN | 366.41 | C19H26O7 | NEUTRAL | Details |
| B137855 | CHEMBL433721 | Small molecule | -- | 153.14 | C6H7N3O2 | NEUTRAL | Details |
| B137856 | CHEMBL433771 | Small molecule | -- | 528.59 | C24H28N6O6S | ACID | Details |
| B137857 | CHEMBL433784 | Small molecule | -- | 400.38 | C18H22F2N2O6 | ACID | Details |
| B137858 | CHEMBL433786 | Small molecule | -- | 304.32 | C13H21FN2O5 | ACID | Details |
| B137859 | CHEMBL433793 | Small molecule | -- | 604.81 | C36H49FN4O3 | ZWITTERION | Details |
| B137860 | CHEMBL433812 | Small molecule | -- | 507.55 | C20H21N5O7S2 | BASE | Details |
| B137861 | CHEMBL433962 | Small molecule | -- | 475.59 | C29H33NO5 | NEUTRAL | Details |
| B137862 | CHEMBL433980 | Small molecule | -- | 594.84 | C38H50N4O2 | ZWITTERION | Details |
| B137863 | CHEMBL433990 | Small molecule | -- | 477.9 | C22H24ClN3O7 | NEUTRAL | Details |
| B137864 | CHEMBL434 | Small molecule | ISOPROTERENOL | 211.26 | C11H17NO3 | BASE | Details |
| B137865 | CHEMBL434059 | Small molecule | -- | 338.17 | C16H10Cl2FNO2 | ACID | Details |
| B137866 | CHEMBL434063 | Small molecule | -- | 495.58 | C30H29N3O4 | ACID | Details |
| B137867 | CHEMBL434147 | Small molecule | -- | 574.68 | C27H42N8O6 | ACID | Details |
| B137868 | CHEMBL434166 | Small molecule | -- | 552.65 | C28H32N4O6S | ACID | Details |
| B137869 | CHEMBL434167 | Small molecule | -- | 523.52 | C32H31BrN2 | BASE | Details |
| B137870 | CHEMBL434175 | Small molecule | -- | 455.51 | C25H29NO7 | NEUTRAL | Details |
| B137871 | CHEMBL434196 | Small molecule | -- | 379.37 | C18H21NO8 | ACID | Details |
| B137872 | CHEMBL434411 | Small molecule | -- | 472.52 | C20H28N2O9S | ACID | Details |
| B137873 | CHEMBL43469 | Small molecule | ASARININ | 354.36 | C20H18O6 | NEUTRAL | Details |
| B137874 | CHEMBL434697 | Small molecule | -- | 484.51 | C18H20N4O8S2 | ACID | Details |
| B137875 | CHEMBL434716 | Small molecule | -- | 453.58 | C27H35NO5 | ACID | Details |
| B137876 | CHEMBL434750 | Small molecule | ERGOSTEROL PEROXIDE | 428.66 | C28H44O3 | NEUTRAL | Details |
| B137877 | CHEMBL434751 | Small molecule | -- | 373.43 | C18H19N3O4S | NEUTRAL | Details |
| B137878 | CHEMBL43482 | Small molecule | MITONAFIDE | 313.31 | C16H15N3O4 | BASE | Details |
| B137879 | CHEMBL434829 | Small molecule | -- | 350.42 | C25H18O2 | NEUTRAL | Details |
| B137880 | CHEMBL434935 | Small molecule | -- | 410.55 | C26H34O4 | ACID | Details |
| B137881 | CHEMBL434945 | Small molecule | -- | 391.47 | C24H25NO4 | ACID | Details |
| B137882 | CHEMBL435 | Small molecule | HYDROCHLOROTHIAZIDE | 297.75 | C7H8ClN3O4S2 | NEUTRAL | Details |
| B137883 | CHEMBL435003 | Small molecule | -- | 348.56 | C20H32N2OS | NEUTRAL | Details |
| B137884 | CHEMBL435014 | Small molecule | -- | 278.28 | C14H15FN2O3 | NEUTRAL | Details |
| B137885 | CHEMBL435145 | Small molecule | -- | 379.44 | C20H17N3O3S | NEUTRAL | Details |
| B137886 | CHEMBL435224 | Small molecule | LAPAQUISTAT ACETATE | 645.15 | C33H41ClN2O9 | ACID | Details |
| B137887 | CHEMBL435258 | Small molecule | -- | 577.78 | C30H35N5O3S2 | NEUTRAL | Details |
| B137888 | CHEMBL435259 | Small molecule | -- | 596.73 | C35H40N4O5 | BASE | Details |
| B137889 | CHEMBL435278 | Small molecule | -- | 581.9 | C28H28Cl3FN2O4 | ACID | Details |
| B137890 | CHEMBL435284 | Small molecule | -- | 628.11 | C24H22ClN3O9S3 | ACID | Details |
| B137891 | CHEMBL435317 | Small molecule | -- | 540.44 | C24H14F6N2O4S | ACID | Details |
| B137892 | CHEMBL435343 | Small molecule | -- | 425.31 | C21H22Cl2O5 | ACID | Details |
| B137893 | CHEMBL435347 | Small molecule | -- | 590.78 | C35H47FN4O3 | ZWITTERION | Details |
| B137894 | CHEMBL435472 | Small molecule | -- | 574.79 | C35H47FN4O2 | ZWITTERION | Details |
| B137895 | CHEMBL435492 | Small molecule | -- | 497.59 | C31H31NO5 | NEUTRAL | Details |
| B137896 | CHEMBL435499 | Small molecule | -- | 467.92 | C23H25ClF3N3O2 | NEUTRAL | Details |
| B137897 | CHEMBL435512 | Small molecule | -- | 422.48 | C24H26N2O5 | ACID | Details |
| B137898 | CHEMBL435517 | Small molecule | -- | 527.5 | C28H24F3NO6 | ACID | Details |
| B137899 | CHEMBL435520 | Small molecule | -- | 506.56 | C27H30N4O6 | ACID | Details |
| B137900 | CHEMBL435523 | Small molecule | -- | 459.54 | C28H29NO5 | ACID | Details |