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.
stats1
stats2
147604 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B140901 | CHEMBL474550 | Small molecule | -- | 480.52 | C28H24N4O4 | ACID | Details |
| B140902 | CHEMBL474551 | Small molecule | -- | 466.5 | C27H22N4O4 | ACID | Details |
| B140903 | CHEMBL4745716 | -- | -- | 323.36 | C16H17N7O | NEUTRAL | Details |
| B140904 | CHEMBL4745787 | -- | -- | 389.41 | C22H19N3O4 | ACID | Details |
| B140905 | CHEMBL4745964 | -- | -- | 4254.73 | C186H286N46O64S2 | None | Details |
| B140906 | CHEMBL4745985 | -- | -- | 4212.53 | C181H276N56O61 | None | Details |
| B140907 | CHEMBL4746084 | -- | -- | 429.9 | C22H24ClN3O4 | NEUTRAL | Details |
| B140908 | CHEMBL4746217 | -- | -- | 381.35 | C18H18F3N3O3 | ACID | Details |
| B140909 | CHEMBL4746218 | -- | -- | 370.4 | C24H18O4 | ACID | Details |
| B140910 | CHEMBL4746220 | -- | -- | 508.62 | C31H32N4O3 | NEUTRAL | Details |
| B140911 | CHEMBL4746258 | -- | -- | 416.43 | C25H20O6 | ACID | Details |
| B140912 | CHEMBL4746270 | -- | -- | 524.59 | C28H26F2N2O4S | ACID | Details |
| B140913 | CHEMBL4746369 | -- | -- | 417.47 | C24H23N3O4 | ACID | Details |
| B140914 | CHEMBL4746510 | -- | -- | 522.57 | C25H33F3N6O3 | BASE | Details |
| B140915 | CHEMBL4746516 | -- | -- | 417.51 | C26H27NO4 | NEUTRAL | Details |
| B140916 | CHEMBL4746517 | -- | -- | 462.38 | C23H25Cl2N3O3 | NEUTRAL | Details |
| B140917 | CHEMBL4746597 | -- | -- | 529.04 | C30H29ClN4O3 | NEUTRAL | Details |
| B140918 | CHEMBL474665 | Small molecule | -- | 580.63 | C26H31F3N6O4S | NEUTRAL | Details |
| B140919 | CHEMBL4746765 | -- | -- | 545.51 | C27H26F3N3O6 | ACID | Details |
| B140920 | CHEMBL4746878 | -- | -- | 4235.73 | C186H285N47O62S2 | None | Details |
| B140921 | CHEMBL4746879 | -- | -- | 457.96 | C24H28ClN3O4 | NEUTRAL | Details |
| B140922 | CHEMBL4746882 | -- | -- | 4941.68 | C220H348N58O67S2 | None | Details |
| B140923 | CHEMBL4746964 | -- | -- | 559.54 | C28H28F3N3O6 | NEUTRAL | Details |
| B140924 | CHEMBL4747131 | -- | -- | 4465.13 | C205H312N44O63S2 | None | Details |
| B140925 | CHEMBL4747132 | -- | -- | 558.56 | C28H29F3N4O5 | NEUTRAL | Details |
| B140926 | CHEMBL4747240 | -- | -- | 586.49 | C30H30Cl2FN3O4 | ACID | Details |
| B140927 | CHEMBL4747360 | -- | -- | 4327.78 | C191H285N47O64S2 | None | Details |
| B140928 | CHEMBL4747416 | -- | -- | 251.28 | C13H17NO4 | ACID | Details |
| B140929 | CHEMBL4747457 | -- | -- | 297.4 | C19H23NO2 | ACID | Details |
| B140930 | CHEMBL4747556 | -- | -- | 447.38 | C21H27BrN4O2 | BASE | Details |
| B140931 | CHEMBL4747753 | -- | -- | 359.43 | C16H13N3O3S2 | ACID | Details |
| B140932 | CHEMBL4747794 | -- | -- | 3491.91 | C155H232N38O50S2 | None | Details |
| B140933 | CHEMBL4747851 | -- | -- | 373.42 | C20H19N7O | NEUTRAL | Details |
| B140934 | CHEMBL4747855 | -- | -- | 635.61 | C30H26F5N3O5S | ACID | Details |
| B140935 | CHEMBL474791 | Small molecule | -- | 358.44 | C17H14N2O3S2 | NEUTRAL | Details |
| B140936 | CHEMBL4748062 | -- | -- | 397.41 | C16H19N3O7S | ACID | Details |
| B140937 | CHEMBL4748086 | -- | -- | 323.36 | C16H17N7O | NEUTRAL | Details |
| B140938 | CHEMBL4748132 | -- | -- | 454.91 | C24H21ClF2N4O | NEUTRAL | Details |
| B140939 | CHEMBL4748148 | -- | -- | 418.3 | C18H20BrN5O2 | NEUTRAL | Details |
| B140940 | CHEMBL4748155 | -- | -- | 392.46 | C21H24N6O2 | NEUTRAL | Details |
| B140941 | CHEMBL4748172 | -- | -- | 454.71 | C17H17BrClN5O3 | NEUTRAL | Details |
| B140942 | CHEMBL4748253 | -- | -- | 448.27 | C17H15Cl2N9O2 | NEUTRAL | Details |
| B140943 | CHEMBL4748303 | -- | -- | 4269.74 | C189H283N47O62S2 | None | Details |
| B140944 | CHEMBL4748308 | -- | -- | 443.93 | C23H26ClN3O4 | NEUTRAL | Details |
| B140945 | CHEMBL4748312 | -- | -- | 287.36 | C17H21NO3 | ACID | Details |
| B140946 | CHEMBL474838 | Small molecule | -- | 505.64 | C29H36FN5O2 | ZWITTERION | Details |
| B140947 | CHEMBL4748417 | -- | -- | 464.97 | C26H26ClFN4O | NEUTRAL | Details |
| B140948 | CHEMBL4748440 | -- | -- | 344.46 | C17H16N2O2S2 | ACID | Details |
| B140949 | CHEMBL4748470 | -- | -- | 410.49 | C24H27FN2O3 | ACID | Details |
| B140950 | CHEMBL4748488 | -- | -- | 462.55 | C26H30N4O4 | NEUTRAL | Details |
| B140951 | CHEMBL4748561 | -- | -- | 338.36 | C14H8F2N2O2S2 | ACID | Details |
| B140952 | CHEMBL4748636 | -- | -- | 470.01 | C26H32ClN3O3 | NEUTRAL | Details |
| B140953 | CHEMBL474872 | Small molecule | BAUERINE C | 267.12 | C12H8Cl2N2O | NEUTRAL | Details |
| B140954 | CHEMBL4748755 | -- | -- | 273.34 | C15H19N3O2 | ACID | Details |
| B140955 | CHEMBL4748874 | -- | -- | 5280.93 | C233H361N69O70S | None | Details |
| B140956 | CHEMBL4748891 | -- | -- | 1197.48 | C64H90F2N10O10 | None | Details |
| B140957 | CHEMBL4749105 | -- | -- | 354.48 | C20H22N2O2S | ACID | Details |
| B140958 | CHEMBL4749141 | -- | -- | 367.48 | C19H21N5OS | BASE | Details |
| B140959 | CHEMBL4749142 | -- | -- | 601.6 | C31H31F4N3O5 | ACID | Details |
| B140960 | CHEMBL4749151 | -- | -- | 417.47 | C24H23N3O4 | ACID | Details |
| B140961 | CHEMBL4749248 | -- | -- | 4949.61 | C223H352N58O69 | None | Details |
| B140962 | CHEMBL4749279 | -- | -- | 5223.88 | C231H358N68O69S | None | Details |
| B140963 | CHEMBL4749400 | -- | -- | 447.49 | C25H25N3O5 | ACID | Details |
| B140964 | CHEMBL4749439 | -- | -- | 637.76 | C37H40FN5O4 | NEUTRAL | Details |
| B140965 | CHEMBL474947 | Small molecule | -- | 480.52 | C28H24N4O4 | ACID | Details |
| B140966 | CHEMBL4749481 | -- | -- | 4311.82 | C192H289N47O62S2 | None | Details |
| B140967 | CHEMBL4749534 | -- | -- | 4983.76 | C223H354N58O67S2 | None | Details |
| B140968 | CHEMBL4749551 | -- | -- | 373.42 | C20H19N7O | NEUTRAL | Details |
| B140969 | CHEMBL4749577 | -- | -- | 417.44 | C20H17F2N3O3S | NEUTRAL | Details |
| B140970 | CHEMBL4749785 | -- | -- | 389.41 | C22H19N3O4 | ACID | Details |
| B140971 | CHEMBL4749829 | -- | -- | 502.01 | C26H32ClN3O5 | NEUTRAL | Details |
| B140972 | CHEMBL4749924 | -- | -- | 432.52 | C26H28N2O4 | NEUTRAL | Details |
| B140973 | CHEMBL4750081 | -- | -- | 554.65 | C32H34N4O5 | NEUTRAL | Details |
| B140974 | CHEMBL4750196 | -- | -- | 598.99 | C28H25ClF2N6O5 | NEUTRAL | Details |
| B140975 | CHEMBL475020 | Small molecule | -- | 518.61 | C21H30N2O9S2 | NEUTRAL | Details |
| B140976 | CHEMBL4750253 | -- | -- | 3476.9 | C155H231N37O50S2 | None | Details |
| B140977 | CHEMBL4750348 | -- | -- | 609.57 | C28H24F5N3O5S | ACID | Details |
| B140978 | CHEMBL475040 | Small molecule | -- | 434.44 | C18H21F3N2O5S | NEUTRAL | Details |
| B140979 | CHEMBL4750405 | -- | -- | 364.4 | C18H24N2O6 | NEUTRAL | Details |
| B140980 | CHEMBL47505 | Small molecule | -- | 332.35 | C18H20O6 | NEUTRAL | Details |
| B140981 | CHEMBL4750505 | -- | -- | 322.37 | C17H18N6O | NEUTRAL | Details |
| B140982 | CHEMBL4750567 | -- | -- | 487.97 | C23H22ClN3O5S | NEUTRAL | Details |
| B140983 | CHEMBL4750751 | -- | -- | 382.36 | C17H13F3N2O3S | ACID | Details |
| B140984 | CHEMBL4750834 | -- | -- | 557.65 | C28H49NO6P2 | NEUTRAL | Details |
| B140985 | CHEMBL4750857 | -- | -- | 374.41 | C19H18N8O | NEUTRAL | Details |
| B140986 | CHEMBL4751112 | -- | -- | 593.57 | C28H24F5N3O4S | ACID | Details |
| B140987 | CHEMBL4751113 | -- | -- | 336.38 | C17H12N4O2S | NEUTRAL | Details |
| B140988 | CHEMBL4751148 | -- | -- | 524.96 | C22H22ClFN4O6S | NEUTRAL | Details |
| B140989 | CHEMBL4751168 | -- | -- | 361.35 | C18H17F2N3O3 | NEUTRAL | Details |
| B140990 | CHEMBL4751195 | -- | -- | 767.79 | C36H45N7O12 | ACID | Details |
| B140991 | CHEMBL4751319 | -- | -- | 4255.71 | C185H285N55O59S | None | Details |
| B140992 | CHEMBL4751434 | -- | -- | 346.21 | C18H13Cl2NO2 | NEUTRAL | Details |
| B140993 | CHEMBL4751466 | -- | -- | 5197.82 | C233H356N68O68 | None | Details |
| B140994 | CHEMBL4751747 | -- | -- | 379.36 | C17H12F3N3O2S | NEUTRAL | Details |
| B140995 | CHEMBL4751757 | -- | -- | 613.61 | C32H31F4N3O5 | ACID | Details |
| B140996 | CHEMBL4751781 | -- | -- | 404.27 | C17H18BrN5O2 | NEUTRAL | Details |
| B140997 | CHEMBL4751792 | -- | -- | 404.9 | C23H21ClN4O | NEUTRAL | Details |
| B140998 | CHEMBL4751836 | -- | -- | 323.36 | C17H17N5O2 | NEUTRAL | Details |
| B140999 | CHEMBL4751849 | -- | -- | 405.41 | C22H19N3O5 | ACID | Details |
| B141000 | CHEMBL4751857 | -- | -- | 4999.71 | C222H350N58O69S2 | None | Details |