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 | |
|---|---|---|---|---|---|---|---|
| B141901 | CHEMBL486650 | Small molecule | -- | 573.57 | C29H30F3N3O6 | ACID | Details |
| B141902 | CHEMBL486664 | Small molecule | -- | 344.41 | C20H24O5 | NEUTRAL | Details |
| B141903 | CHEMBL486670 | Small molecule | -- | 330.38 | C19H22O5 | NEUTRAL | Details |
| B141904 | CHEMBL486696 | Small molecule | DOMIPHEN BROMIDE | 414.47 | C22H40BrNO | NEUTRAL | Details |
| B141905 | CHEMBL486706 | Small molecule | -- | 298.39 | C21H18N2 | NEUTRAL | Details |
| B141906 | CHEMBL486764 | Small molecule | -- | 318.8 | C18H19ClO3 | ACID | Details |
| B141907 | CHEMBL486765 | Small molecule | -- | 360.88 | C21H25ClO3 | ACID | Details |
| B141908 | CHEMBL486766 | Small molecule | -- | 352.82 | C21H17ClO3 | ACID | Details |
| B141909 | CHEMBL486816 | Small molecule | HARMALOL HYDROCHLORIDE | 236.7 | C12H13ClN2O | NEUTRAL | Details |
| B141910 | CHEMBL486819 | Small molecule | CHLORHEXIDINE DIACETATE | 625.56 | C26H38Cl2N10O4 | BASE | Details |
| B141911 | CHEMBL486837 | Small molecule | -- | 316.35 | C18H20O5 | NEUTRAL | Details |
| B141912 | CHEMBL486892 | Small molecule | -- | 570.63 | C31H29F3O5S | ACID | Details |
| B141913 | CHEMBL486961 | Small molecule | ATRACTYLENOLIDE III | 248.32 | C15H20O3 | NEUTRAL | Details |
| B141914 | CHEMBL486985 | Small molecule | -- | 318.46 | C20H30O3 | NEUTRAL | Details |
| B141915 | CHEMBL487017 | Small molecule | APIGETRIN | 432.38 | C21H20O10 | NEUTRAL | Details |
| B141916 | CHEMBL487070 | Small molecule | -- | 526.56 | C28H29F3N4O3 | ZWITTERION | Details |
| B141917 | CHEMBL487074 | Small molecule | -- | 554.61 | C30H33F3N4O3 | NEUTRAL | Details |
| B141918 | CHEMBL487087 | Small molecule | -- | 551.62 | C28H29N3O7S | NEUTRAL | Details |
| B141919 | CHEMBL487185 | Small molecule | FLUTOLANIL | 323.31 | C17H16F3NO2 | NEUTRAL | Details |
| B141920 | CHEMBL487186 | Small molecule | TEBUCONAZOLE | 307.82 | C16H22ClN3O | NEUTRAL | Details |
| B141921 | CHEMBL487187 | Small molecule | THIOPHANATE METHYL | 342.4 | C12H14N4O4S2 | NEUTRAL | Details |
| B141922 | CHEMBL487238 | Small molecule | -- | 512.58 | C28H31F3N4O2 | BASE | Details |
| B141923 | CHEMBL487278 | Small molecule | -- | 486.61 | C27H38N2O6 | ACID | Details |
| B141924 | CHEMBL487356 | Small molecule | -- | 373.37 | C20H15N5O3 | NEUTRAL | Details |
| B141925 | CHEMBL487476 | Small molecule | -- | 582.48 | C30H29Cl2N3O5 | ACID | Details |
| B141926 | CHEMBL487495 | Small molecule | -- | 294.35 | C16H22O5 | ACID | Details |
| B141927 | CHEMBL487560 | Small molecule | -- | 384.47 | C23H28O5 | ACID | Details |
| B141928 | CHEMBL487561 | Small molecule | -- | 372.44 | C17H24O7S | ACID | Details |
| B141929 | CHEMBL487562 | Small molecule | -- | 356.44 | C17H24O6S | ACID | Details |
| B141930 | CHEMBL487602 | Small molecule | TOTAROL | 286.46 | C20H30O | NEUTRAL | Details |
| B141931 | CHEMBL487603 | Small molecule | ISOSAFROLE | 162.19 | C10H10O2 | None | Details |
| B141932 | CHEMBL487611 | Small molecule | PINORESINOL | 358.39 | C20H22O6 | NEUTRAL | Details |
| B141933 | CHEMBL487631 | Small molecule | -- | 527.59 | C28H34FN3O6 | ACID | Details |
| B141934 | CHEMBL487632 | Small molecule | -- | 525.62 | C29H36FN3O5 | ACID | Details |
| B141935 | CHEMBL487650 | Small molecule | -- | 372.46 | C22H28O5 | NEUTRAL | Details |
| B141936 | CHEMBL487666 | Small molecule | -- | 330.38 | C19H22O5 | NEUTRAL | Details |
| B141937 | CHEMBL487667 | Small molecule | -- | 330.38 | C19H22O5 | NEUTRAL | Details |
| B141938 | CHEMBL487716 | Small molecule | -- | 278.14 | C14H9Cl2NO | NEUTRAL | Details |
| B141939 | CHEMBL487720 | Small molecule | -- | 458.57 | C25H39NaO6 | ACID | Details |
| B141940 | CHEMBL487894 | Small molecule | DIPYRONE SODIUM | 333.35 | C13H16N3NaO4S | ACID | Details |
| B141941 | CHEMBL487958 | Small molecule | -- | 417.58 | C25H27N3OS | NEUTRAL | Details |
| B141942 | CHEMBL487959 | Small molecule | -- | 417.58 | C25H27N3OS | NEUTRAL | Details |
| B141943 | CHEMBL488 | Small molecule | AMINOGLUTETHIMIDE | 232.28 | C13H16N2O2 | NEUTRAL | Details |
| B141944 | CHEMBL488007 | Small molecule | TELEOCIDIN B | 451.66 | C28H41N3O2 | NEUTRAL | Details |
| B141945 | CHEMBL488025 | Small molecule | EXISULIND | 372.42 | C20H17FO4S | ACID | Details |
| B141946 | CHEMBL488140 | Small molecule | -- | 277.32 | C18H15NO2 | NEUTRAL | Details |
| B141947 | CHEMBL488297 | Small molecule | -- | 515.56 | C27H31F2N3O5 | ACID | Details |
| B141948 | CHEMBL488298 | Small molecule | -- | 497.57 | C27H32FN3O5 | ACID | Details |
| B141949 | CHEMBL488299 | Small molecule | -- | 470.61 | C27H38N2O5 | ACID | Details |
| B141950 | CHEMBL488300 | Small molecule | -- | 562.61 | C32H32F2N2O5 | ACID | Details |
| B141951 | CHEMBL488384 | Small molecule | -- | 250.3 | C17H14O2 | ACID | Details |
| B141952 | CHEMBL488433 | Small molecule | -- | 525.58 | C28H30F3N5O2 | NEUTRAL | Details |
| B141953 | CHEMBL488436 | Small molecule | AZD-5438 | 371.47 | C18H21N5O2S | NEUTRAL | Details |
| B141954 | CHEMBL488471 | Small molecule | -- | 532.68 | C32H40N2O5 | ACID | Details |
| B141955 | CHEMBL488636 | Small molecule | -- | 497.57 | C27H32FN3O5 | ACID | Details |
| B141956 | CHEMBL488650 | Small molecule | -- | 228.32 | C14H12OS | NEUTRAL | Details |
| B141957 | CHEMBL488696 | Small molecule | -- | 344.41 | C20H24O5 | NEUTRAL | Details |
| B141958 | CHEMBL488803 | Small molecule | -- | 402.06 | C16H8Cl4N2O2 | NEUTRAL | Details |
| B141959 | CHEMBL488821 | Small molecule | -- | 560.63 | C31H33FN4O5 | ACID | Details |
| B141960 | CHEMBL488839 | Small molecule | -- | 346.38 | C19H22O6 | NEUTRAL | Details |
| B141961 | CHEMBL488846 | Small molecule | -- | 312.32 | C15H20O7 | NEUTRAL | Details |
| B141962 | CHEMBL488847 | Small molecule | -- | 430.45 | C23H26O8 | NEUTRAL | Details |
| B141963 | CHEMBL488917 | Small molecule | -- | 286.33 | C17H18O4 | NEUTRAL | Details |
| B141964 | CHEMBL488991 | Small molecule | -- | 357.41 | C20H23NO5 | ACID | Details |
| B141965 | CHEMBL489 | Small molecule | AFIMOXIFENE | 387.52 | C26H29NO2 | BASE | Details |
| B141966 | CHEMBL489074 | Small molecule | -- | 332.4 | C22H20O3 | ACID | Details |
| B141967 | CHEMBL489075 | Small molecule | -- | 346.43 | C23H22O3 | ACID | Details |
| B141968 | CHEMBL489142 | Small molecule | SYRINGETIN | 346.29 | C17H14O8 | ACID | Details |
| B141969 | CHEMBL489171 | Small molecule | -- | 437.58 | C27H35NO4 | ACID | Details |
| B141970 | CHEMBL489172 | Small molecule | -- | 464.39 | C24H27Cl2NO4 | ACID | Details |
| B141971 | CHEMBL489178 | Small molecule | -- | 464.39 | C24H27Cl2NO4 | ACID | Details |
| B141972 | CHEMBL489323 | Small molecule | -- | 468.65 | C26H40N6O2 | BASE | Details |
| B141973 | CHEMBL489324 | Small molecule | -- | 538.13 | C28H42ClF2N5O | BASE | Details |
| B141974 | CHEMBL489327 | Small molecule | -- | 465.6 | C21H27N3O5S2 | ACID | Details |
| B141975 | CHEMBL489363 | Small molecule | -- | 413.49 | C24H28FNO4 | ACID | Details |
| B141976 | CHEMBL489364 | Small molecule | -- | 425.53 | C25H31NO5 | ACID | Details |
| B141977 | CHEMBL489377 | Small molecule | -- | 464.39 | C24H27Cl2NO4 | ACID | Details |
| B141978 | CHEMBL489506 | Small molecule | -- | 466.5 | C27H22N4O4 | ACID | Details |
| B141979 | CHEMBL489507 | Small molecule | -- | 480.52 | C28H24N4O4 | ACID | Details |
| B141980 | CHEMBL489512 | Small molecule | -- | 481.69 | C27H43N7O | BASE | Details |
| B141981 | CHEMBL489513 | Small molecule | -- | 473.61 | C26H37F2N5O | BASE | Details |
| B141982 | CHEMBL489540 | Small molecule | -- | 274.4 | C18H26O2 | ACID | Details |
| B141983 | CHEMBL489559 | Small molecule | -- | 367.45 | C22H25NO4 | ACID | Details |
| B141984 | CHEMBL489563 | Small molecule | -- | 425.53 | C25H31NO5 | ACID | Details |
| B141985 | CHEMBL489591 | Small molecule | -- | 477.52 | C26H30F3NO4 | ACID | Details |
| B141986 | CHEMBL489597 | Small molecule | -- | 481.98 | C22H25ClFN3O4S | NEUTRAL | Details |
| B141987 | CHEMBL489651 | Small molecule | -- | 527.5 | C28H24F3NO6 | ACID | Details |
| B141988 | CHEMBL489737 | Small molecule | -- | 364.45 | C21H24N4O2 | NEUTRAL | Details |
| B141989 | CHEMBL489765 | Small molecule | -- | 341.41 | C20H23NO4 | ACID | Details |
| B141990 | CHEMBL489766 | Small molecule | -- | 337.38 | C20H19NO4 | ACID | Details |
| B141991 | CHEMBL489768 | Small molecule | -- | 415.92 | C23H26ClNO4 | ACID | Details |
| B141992 | CHEMBL489769 | Small molecule | -- | 415.92 | C23H26ClNO4 | ACID | Details |
| B141993 | CHEMBL489814 | Small molecule | -- | 292.38 | C17H24O4 | ACID | Details |
| B141994 | CHEMBL489940 | Small molecule | -- | 300.35 | C18H20O4 | NEUTRAL | Details |
| B141995 | CHEMBL49 | Small molecule | BUSPIRONE | 385.51 | C21H31N5O2 | NEUTRAL | Details |
| B141996 | CHEMBL490 | Small molecule | PAROXETINE | 329.37 | C19H20FNO3 | BASE | Details |
| B141997 | CHEMBL490015 | Small molecule | -- | 324.44 | C17H24O4S | ACID | Details |
| B141998 | CHEMBL490029 | Small molecule | MK-0533 | 527.5 | C28H24F3NO6 | ACID | Details |
| B141999 | CHEMBL490125 | Small molecule | SCHISANHENOL | 402.49 | C23H30O6 | NEUTRAL | Details |
| B142000 | CHEMBL490220 | Small molecule | -- | 375.85 | C20H22ClNO4 | ACID | Details |