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 | |
|---|---|---|---|---|---|---|---|
| B139901 | CHEMBL4575077 | -- | -- | 384.37 | C17H12N4O5S | ACID | Details |
| B139902 | CHEMBL4575123 | -- | -- | 349.84 | C16H16ClN3O2S | ACID | Details |
| B139903 | CHEMBL4575172 | -- | -- | 516.46 | C28H20O10 | NEUTRAL | Details |
| B139904 | CHEMBL4575178 | -- | -- | 281.31 | C16H15N3O2 | BASE | Details |
| B139905 | CHEMBL457527 | Small molecule | -- | 496.09 | C16H17Br2O6P | ACID | Details |
| B139906 | CHEMBL457528 | Small molecule | -- | 590.09 | C16H17I2O6P | ACID | Details |
| B139907 | CHEMBL457529 | Small molecule | -- | 366.35 | C18H23O6P | ACID | Details |
| B139908 | CHEMBL4575562 | -- | -- | 629.71 | C34H32FN3O6S | ACID | Details |
| B139909 | CHEMBL4575666 | -- | -- | 370.84 | C19H19ClN4O2 | NEUTRAL | Details |
| B139910 | CHEMBL4575722 | -- | -- | 180.64 | C9H9ClN2 | BASE | Details |
| B139911 | CHEMBL4575734 | -- | -- | 460.88 | C20H24ClF3N4O3 | BASE | Details |
| B139912 | CHEMBL4575774 | -- | -- | 504.58 | C28H30N4O5 | ACID | Details |
| B139913 | CHEMBL4575799 | -- | -- | 333.77 | C17H16ClNO4 | NEUTRAL | Details |
| B139914 | CHEMBL4575844 | -- | -- | 489.45 | C23H22F3N5O4 | NEUTRAL | Details |
| B139915 | CHEMBL4575847 | -- | -- | 404.47 | C23H24N4O3 | NEUTRAL | Details |
| B139916 | CHEMBL457594 | Small molecule | -- | 865.33 | C47H45ClN2O12 | ACID | Details |
| B139917 | CHEMBL4575954 | -- | -- | 351.45 | C21H25N3O2 | NEUTRAL | Details |
| B139918 | CHEMBL4575998 | -- | -- | 425.87 | C22H20ClN3O4 | NEUTRAL | Details |
| B139919 | CHEMBL4576136 | -- | -- | 381.86 | C21H20ClN3O2 | ACID | Details |
| B139920 | CHEMBL4576159 | -- | -- | 429.48 | C25H23N3O4 | NEUTRAL | Details |
| B139921 | CHEMBL457623 | Small molecule | -- | 539.66 | C32H39F2NO4 | ACID | Details |
| B139922 | CHEMBL457636 | Small molecule | -- | 266.26 | C14H10N4O2 | NEUTRAL | Details |
| B139923 | CHEMBL4576450 | -- | -- | 411.84 | C18H22ClN3O6 | NEUTRAL | Details |
| B139924 | CHEMBL4576455 | -- | -- | 160.22 | C10H12N2 | BASE | Details |
| B139925 | CHEMBL4576489 | -- | -- | 915.85 | C50H56BF2N7O7 | None | Details |
| B139926 | CHEMBL4576586 | -- | -- | 383.5 | C25H25N3O | NEUTRAL | Details |
| B139927 | CHEMBL4576650 | -- | -- | 1177.88 | C43H65I2N13O10 | None | Details |
| B139928 | CHEMBL4576894 | -- | -- | 495.48 | C18H20Cl2N2O4S3 | NEUTRAL | Details |
| B139929 | CHEMBL4577127 | -- | -- | 362.45 | C19H22O5S | NEUTRAL | Details |
| B139930 | CHEMBL4577133 | -- | -- | 396.26 | C18H19BrFNO3 | NEUTRAL | Details |
| B139931 | CHEMBL4577171 | -- | -- | 360.21 | C15H14BrN5O | NEUTRAL | Details |
| B139932 | CHEMBL4577237 | -- | BI 9446 | 602.48 | C30H25Cl2N7O3 | NEUTRAL | Details |
| B139933 | CHEMBL4577270 | -- | -- | 904.04 | C43H61N13O9 | BASE | Details |
| B139934 | CHEMBL4577381 | -- | -- | 444.54 | C26H28N4O3 | NEUTRAL | Details |
| B139935 | CHEMBL4577420 | -- | -- | 456.71 | C30H48O3 | NEUTRAL | Details |
| B139936 | CHEMBL457748 | Small molecule | MB07811 | 514.99 | C28H32ClO5P | NEUTRAL | Details |
| B139937 | CHEMBL4577681 | -- | -- | 368.82 | C19H17ClN4O2 | NEUTRAL | Details |
| B139938 | CHEMBL4577691 | -- | -- | 840.98 | C39H60N12O9 | ZWITTERION | Details |
| B139939 | CHEMBL4577692 | -- | -- | 1083.88 | C43H65Br2N13O10 | None | Details |
| B139940 | CHEMBL4577774 | -- | -- | 497.58 | C24H27N5O5S | NEUTRAL | Details |
| B139941 | CHEMBL4577839 | -- | -- | 441.79 | C14H15Cl3N4O2S2 | NEUTRAL | Details |
| B139942 | CHEMBL4577855 | -- | -- | 411.84 | C18H22ClN3O6 | NEUTRAL | Details |
| B139943 | CHEMBL4577890 | -- | -- | 458.52 | C26H26N4O4 | NEUTRAL | Details |
| B139944 | CHEMBL4577891 | -- | -- | 572.62 | C31H35F3N2O5 | ZWITTERION | Details |
| B139945 | CHEMBL4577895 | -- | -- | 439.97 | C22H22ClN5OS | NEUTRAL | Details |
| B139946 | CHEMBL4577974 | -- | -- | 288.73 | C15H13ClN2O2 | NEUTRAL | Details |
| B139947 | CHEMBL4578094 | -- | -- | 409.46 | C24H24FNO4 | ACID | Details |
| B139948 | CHEMBL4578164 | -- | MRL-CB1-NC | 550.85 | C24H18Cl3N3O4S | NEUTRAL | Details |
| B139949 | CHEMBL4578527 | -- | -- | 461.99 | C18H17ClFNO4S3 | NEUTRAL | Details |
| B139950 | CHEMBL457853 | Small molecule | -- | 359.19 | C18H12BrFO2 | ACID | Details |
| B139951 | CHEMBL4578543 | -- | -- | 265.7 | C13H12ClNO3 | NEUTRAL | Details |
| B139952 | CHEMBL4578551 | -- | -- | 493.39 | C27H22Cl2N2O3 | NEUTRAL | Details |
| B139953 | CHEMBL4578553 | -- | -- | 147.18 | C9H9NO | NEUTRAL | Details |
| B139954 | CHEMBL4578763 | -- | -- | 472.71 | C30H48O4 | NEUTRAL | Details |
| B139955 | CHEMBL457879 | Small molecule | -- | 591.07 | C32H42Cl3N3O | NEUTRAL | Details |
| B139956 | CHEMBL4578794 | -- | -- | 299.37 | C18H21NO3 | NEUTRAL | Details |
| B139957 | CHEMBL4578815 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B139958 | CHEMBL4578860 | -- | -- | 446.35 | C19H21Cl2NO5S | NEUTRAL | Details |
| B139959 | CHEMBL4578899 | -- | -- | 147.18 | C8H9N3 | NEUTRAL | Details |
| B139960 | CHEMBL4579120 | -- | -- | 634.86 | C37H54N4O5 | BASE | Details |
| B139961 | CHEMBL4579147 | -- | -- | 529.96 | C28H21ClFN5O3 | ACID | Details |
| B139962 | CHEMBL4579371 | -- | -- | 372.42 | C21H24O6 | NEUTRAL | Details |
| B139963 | CHEMBL4579452 | -- | -- | 576.16 | C32H34ClN3O3S | ACID | Details |
| B139964 | CHEMBL4579478 | -- | -- | 415.83 | C21H18ClNO6 | ACID | Details |
| B139965 | CHEMBL4579518 | -- | -- | 435.26 | C18H18IN3O2 | ACID | Details |
| B139966 | CHEMBL4579525 | -- | -- | 493.57 | C29H27N5O3 | ACID | Details |
| B139967 | CHEMBL457960 | Small molecule | -- | 544.57 | C30H39Cl2N3O2 | BASE | Details |
| B139968 | CHEMBL4579604 | -- | -- | 962.08 | C45H63N13O11 | ZWITTERION | Details |
| B139969 | CHEMBL4579671 | -- | -- | 204.23 | C11H12N2O2 | BASE | Details |
| B139970 | CHEMBL457977 | Small molecule | -- | 388.34 | C21H13F5N2 | NEUTRAL | Details |
| B139971 | CHEMBL4579809 | -- | -- | 268.29 | C16H13FN2O | BASE | Details |
| B139972 | CHEMBL4579845 | -- | -- | 555.52 | C30H25F4NO5 | ACID | Details |
| B139973 | CHEMBL4579901 | -- | -- | 449.45 | C22H18F3NO4S | ACID | Details |
| B139974 | CHEMBL4580106 | -- | -- | 317.35 | C18H15N5O | BASE | Details |
| B139975 | CHEMBL458019 | Small molecule | PARAQUAT DICHLORIDE | 257.16 | C12H14Cl2N2 | NEUTRAL | Details |
| B139976 | CHEMBL4580218 | -- | -- | 242.14 | C9H8BrNS | BASE | Details |
| B139977 | CHEMBL4580220 | -- | BAY-3827 | 468.54 | C27H25FN6O | NEUTRAL | Details |
| B139978 | CHEMBL4580273 | -- | -- | 161.21 | C9H11N3 | BASE | Details |
| B139979 | CHEMBL4580407 | -- | -- | 381.56 | C25H35NO2 | NEUTRAL | Details |
| B139980 | CHEMBL458053 | Small molecule | BAVACHININ | 336.39 | C21H20O4 | NEUTRAL | Details |
| B139981 | CHEMBL4580572 | -- | -- | 449.46 | C24H23N3O6 | ACID | Details |
| B139982 | CHEMBL4580580 | -- | -- | 1472.74 | C72H97N17O15S | None | Details |
| B139983 | CHEMBL4580591 | -- | -- | 494.39 | C20H20F6N4O4 | BASE | Details |
| B139984 | CHEMBL458094 | Small molecule | -- | 338.4 | C21H22O4 | NEUTRAL | Details |
| B139985 | CHEMBL458112 | Small molecule | -- | 286.29 | C15H14N2O4 | ACID | Details |
| B139986 | CHEMBL458114 | Small molecule | -- | 322.7 | C14H11ClN2O5 | ACID | Details |
| B139987 | CHEMBL4581195 | -- | -- | 364.45 | C22H24N2O3 | NEUTRAL | Details |
| B139988 | CHEMBL4581233 | -- | -- | 619.62 | C34H29F4N3O4 | ACID | Details |
| B139989 | CHEMBL4581313 | -- | -- | 387.43 | C20H18FNO4S | ACID | Details |
| B139990 | CHEMBL4581435 | -- | -- | 388.43 | C22H20N4O3 | NEUTRAL | Details |
| B139991 | CHEMBL4581443 | -- | -- | 391.78 | C16H17ClF3N3O3 | BASE | Details |
| B139992 | CHEMBL4581458 | -- | -- | 438.96 | C20H24ClFN4O2S | BASE | Details |
| B139993 | CHEMBL4581561 | -- | -- | 375.86 | C14H19ClFN5O2S | BASE | Details |
| B139994 | CHEMBL458157 | Small molecule | -- | 489.7 | C31H43N3O2 | BASE | Details |
| B139995 | CHEMBL4581602 | -- | -- | 353.39 | C21H15N5O | NEUTRAL | Details |
| B139996 | CHEMBL4581644 | -- | -- | 498.42 | C25H28BrN3O3 | NEUTRAL | Details |
| B139997 | CHEMBL4581717 | -- | -- | 388.43 | C22H20N4O3 | NEUTRAL | Details |
| B139998 | CHEMBL4581718 | -- | -- | 917.17 | C43H76N14O8 | BASE | Details |
| B139999 | CHEMBL4581742 | -- | -- | 436.9 | C22H21ClN6O2 | NEUTRAL | Details |
| B140000 | CHEMBL4581797 | -- | -- | 633.64 | C35H31F4N3O4 | ACID | Details |