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 | |
|---|---|---|---|---|---|---|---|
| B140801 | CHEMBL4740551 | -- | -- | 457.53 | C27H27N3O4 | ACID | Details |
| B140802 | CHEMBL4740559 | -- | -- | 521.38 | C20H20IN5O2S | NEUTRAL | Details |
| B140803 | CHEMBL4740604 | -- | -- | 376.53 | C17H16N2O2S3 | ACID | Details |
| B140804 | CHEMBL4740641 | -- | -- | 429.9 | C22H24ClN3O4 | NEUTRAL | Details |
| B140805 | CHEMBL4740642 | -- | -- | 4892.6 | C216H345N57O68S2 | None | Details |
| B140806 | CHEMBL4740734 | -- | -- | 366.36 | C17H13F3N2O2S | ACID | Details |
| B140807 | CHEMBL4740844 | -- | -- | 436.63 | C26H44O5 | ACID | Details |
| B140808 | CHEMBL4740848 | -- | -- | 456.54 | C28H28N2O4 | ACID | Details |
| B140809 | CHEMBL4740877 | -- | -- | 452.94 | C24H25ClN4O3 | NEUTRAL | Details |
| B140810 | CHEMBL4740894 | -- | -- | 282.71 | C11H7ClN2O3S | NEUTRAL | Details |
| B140811 | CHEMBL4741000 | -- | -- | 4925.58 | C219H340N64O64S | None | Details |
| B140812 | CHEMBL4741028 | -- | -- | 549.53 | C24H22F3N5O5S | NEUTRAL | Details |
| B140813 | CHEMBL4741034 | -- | -- | 3442.83 | C151H229N37O51S2 | None | Details |
| B140814 | CHEMBL4741090 | -- | -- | 456.54 | C28H28N2O4 | ACID | Details |
| B140815 | CHEMBL4741141 | -- | -- | 321.42 | C18H27NO4 | ACID | Details |
| B140816 | CHEMBL4741207 | -- | -- | 445.36 | C21H25BrN4O2 | NEUTRAL | Details |
| B140817 | CHEMBL4741305 | -- | -- | 478.52 | C23H29F3N6O2 | BASE | Details |
| B140818 | CHEMBL4741322 | -- | -- | 3457.89 | C152H234N38O50S2 | None | Details |
| B140819 | CHEMBL4741348 | -- | -- | 4223.6 | C184H281N55O60 | None | Details |
| B140820 | CHEMBL4741434 | -- | -- | 430.89 | C21H23ClN4O4 | NEUTRAL | Details |
| B140821 | CHEMBL474148 | Small molecule | -- | 479.54 | C29H25N3O4 | ACID | Details |
| B140822 | CHEMBL474149 | Small molecule | -- | 479.54 | C29H25N3O4 | ACID | Details |
| B140823 | CHEMBL474154 | Small molecule | -- | 425.62 | C25H39N5O | BASE | Details |
| B140824 | CHEMBL4741547 | -- | -- | 5517.24 | C250H381N55O81S2 | None | Details |
| B140825 | CHEMBL474157 | Small molecule | -- | 478.55 | C30H26N2O4 | ACID | Details |
| B140826 | CHEMBL474158 | Small molecule | -- | 416.48 | C25H24N2O4 | ACID | Details |
| B140827 | CHEMBL4741635 | -- | -- | 437.91 | C23H21ClFN5O | NEUTRAL | Details |
| B140828 | CHEMBL4741685 | -- | -- | 558.56 | C28H29F3N4O5 | NEUTRAL | Details |
| B140829 | CHEMBL4741697 | -- | -- | 4366.88 | C199H294N48O61S | None | Details |
| B140830 | CHEMBL4741816 | -- | -- | 458.84 | C21H21ClF2O7 | NEUTRAL | Details |
| B140831 | CHEMBL4741823 | -- | -- | 400.53 | C21H32N6O2 | BASE | Details |
| B140832 | CHEMBL4741830 | -- | -- | 556.01 | C29H28ClF2N3O4 | ACID | Details |
| B140833 | CHEMBL4741940 | -- | -- | 488.54 | C24H42O6P2 | None | Details |
| B140834 | CHEMBL4741998 | -- | -- | 336.4 | C18H20N6O | NEUTRAL | Details |
| B140835 | CHEMBL4742065 | -- | -- | 437.91 | C23H21ClFN5O | NEUTRAL | Details |
| B140836 | CHEMBL4742093 | -- | -- | 3529.96 | C155H238N38O52S2 | None | Details |
| B140837 | CHEMBL4742105 | -- | -- | 509.59 | C22H31N5O7S | NEUTRAL | Details |
| B140838 | CHEMBL4742115 | -- | -- | 467.51 | C27H27F2NO4 | NEUTRAL | Details |
| B140839 | CHEMBL4742137 | -- | -- | 401.49 | C23H19N3O2S | NEUTRAL | Details |
| B140840 | CHEMBL4742149 | -- | -- | 386.36 | C19H16F2N4O3 | NEUTRAL | Details |
| B140841 | CHEMBL474260 | Small molecule | CARUBICIN | 513.5 | C26H27NO10 | BASE | Details |
| B140842 | CHEMBL4742675 | -- | -- | 311.77 | C18H14ClNO2 | NEUTRAL | Details |
| B140843 | CHEMBL4742683 | -- | -- | 492.55 | C24H31F3N6O2 | BASE | Details |
| B140844 | CHEMBL4742812 | -- | -- | 560.02 | C27H24ClF2N3O4S | ACID | Details |
| B140845 | CHEMBL4742834 | -- | -- | 436.92 | C24H22ClFN4O | NEUTRAL | Details |
| B140846 | CHEMBL4742937 | -- | -- | 405.3 | C18H21BrN4O2 | NEUTRAL | Details |
| B140847 | CHEMBL474295 | Small molecule | -- | 484.55 | C29H28N2O5 | ACID | Details |
| B140848 | CHEMBL4743025 | -- | -- | 551.42 | C22H23BrN4O6S | NEUTRAL | Details |
| B140849 | CHEMBL4743055 | -- | -- | 452.93 | C22H22ClFO5S | NEUTRAL | Details |
| B140850 | CHEMBL4743084 | -- | -- | 357.39 | C19H20FN3O3 | NEUTRAL | Details |
| B140851 | CHEMBL4743099 | -- | -- | 401.49 | C23H19N3O2S | NEUTRAL | Details |
| B140852 | CHEMBL4743101 | -- | -- | 518.57 | C28H30N4O6 | ACID | Details |
| B140853 | CHEMBL4743133 | -- | -- | 377.8 | C18H17ClFN3O3 | NEUTRAL | Details |
| B140854 | CHEMBL4743338 | -- | -- | 4254.73 | C189H282N46O62S2 | None | Details |
| B140855 | CHEMBL4743365 | -- | -- | 490.51 | C22H23FN4O6S | NEUTRAL | Details |
| B140856 | CHEMBL4743388 | -- | -- | 384.48 | C22H28N2O4 | NEUTRAL | Details |
| B140857 | CHEMBL4743451 | -- | -- | 423.36 | C19H27BrN4O2 | BASE | Details |
| B140858 | CHEMBL4743486 | -- | -- | 571.57 | C30H29F4N3O4 | ACID | Details |
| B140859 | CHEMBL4743517 | -- | -- | 503.6 | C28H33N5O4 | NEUTRAL | Details |
| B140860 | CHEMBL4743546 | -- | -- | 456.54 | C28H28N2O4 | ACID | Details |
| B140861 | CHEMBL4743594 | -- | -- | 590.6 | C29H26F4N2O5S | ACID | Details |
| B140862 | CHEMBL4743649 | -- | -- | 330.39 | C16H22N6O2 | NEUTRAL | Details |
| B140863 | CHEMBL4743677 | -- | -- | 349.47 | C20H31NO4 | ACID | Details |
| B140864 | CHEMBL4743779 | -- | -- | 423.52 | C26H25N5O | NEUTRAL | Details |
| B140865 | CHEMBL4743794 | -- | -- | 471.36 | C24H21Cl2FN4O | NEUTRAL | Details |
| B140866 | CHEMBL4743885 | -- | -- | 419.92 | C23H22ClN5O | NEUTRAL | Details |
| B140867 | CHEMBL4743917 | -- | -- | 343.36 | C18H18FN3O3 | NEUTRAL | Details |
| B140868 | CHEMBL4744094 | -- | -- | 359.81 | C18H18ClN3O3 | NEUTRAL | Details |
| B140869 | CHEMBL4744145 | -- | -- | 4339.83 | C193H289N47O63S2 | None | Details |
| B140870 | CHEMBL4744172 | -- | -- | 404.76 | C17H11ClF2N6O2 | NEUTRAL | Details |
| B140871 | CHEMBL4744215 | -- | -- | 350.43 | C23H18N4 | NEUTRAL | Details |
| B140872 | CHEMBL4744285 | -- | -- | 335.44 | C19H29NO4 | ACID | Details |
| B140873 | CHEMBL4744325 | -- | -- | 457.53 | C28H27NO5 | ACID | Details |
| B140874 | CHEMBL4744424 | -- | -- | 413.91 | C22H24ClN3O3 | NEUTRAL | Details |
| B140875 | CHEMBL4744428 | -- | -- | 433.52 | C23H27N7O2 | NEUTRAL | Details |
| B140876 | CHEMBL4744430 | -- | -- | 289.34 | C14H19N5O2 | NEUTRAL | Details |
| B140877 | CHEMBL4744582 | -- | -- | 427.33 | C22H20Cl2N4O | NEUTRAL | Details |
| B140878 | CHEMBL4744660 | -- | -- | 449.51 | C24H27N5O4 | ACID | Details |
| B140879 | CHEMBL4744699 | -- | -- | 430.89 | C21H23ClN4O4 | NEUTRAL | Details |
| B140880 | CHEMBL4744735 | -- | -- | 374.27 | C20H17Cl2NO2 | NEUTRAL | Details |
| B140881 | CHEMBL4744762 | -- | -- | 5372.08 | C244H370N54O78S2 | None | Details |
| B140882 | CHEMBL4744835 | -- | -- | 379.34 | C18H16F3N3O3 | NEUTRAL | Details |
| B140883 | CHEMBL4744931 | -- | -- | 403.45 | C20H21N9O | NEUTRAL | Details |
| B140884 | CHEMBL4744981 | -- | -- | 454.91 | C24H21ClF2N4O | NEUTRAL | Details |
| B140885 | CHEMBL4744989 | -- | -- | 444.36 | C24H23Cl2NO3 | NEUTRAL | Details |
| B140886 | CHEMBL4745008 | -- | -- | 520.39 | C25H24Cl2FN3O4 | ACID | Details |
| B140887 | CHEMBL4745018 | -- | -- | 320.37 | C14H9FN2O2S2 | ACID | Details |
| B140888 | CHEMBL4745044 | -- | -- | 361.35 | C18H17F2N3O3 | NEUTRAL | Details |
| B140889 | CHEMBL4745070 | -- | -- | 6044.01 | C275H435N65O83S2 | None | Details |
| B140890 | CHEMBL4745086 | -- | -- | 470.92 | C22H21ClF2O5S | NEUTRAL | Details |
| B140891 | CHEMBL4745102 | -- | -- | 471.58 | C28H30FN5O | NEUTRAL | Details |
| B140892 | CHEMBL4745121 | -- | -- | 419.44 | C23H21N3O5 | ACID | Details |
| B140893 | CHEMBL4745138 | -- | -- | 382.53 | C19H30N2O4S | NEUTRAL | Details |
| B140894 | CHEMBL4745235 | -- | -- | 4217.61 | C181H279N55O60S | None | Details |
| B140895 | CHEMBL4745256 | -- | -- | 473.96 | C24H28ClN3O5 | NEUTRAL | Details |
| B140896 | CHEMBL4745289 | -- | -- | 359.48 | C17H17N3O2S2 | NEUTRAL | Details |
| B140897 | CHEMBL4745294 | -- | -- | 345.81 | C16H12ClN3O2S | NEUTRAL | Details |
| B140898 | CHEMBL4745474 | -- | -- | 420.38 | C21H14F2N6O2 | NEUTRAL | Details |
| B140899 | CHEMBL474548 | Small molecule | -- | 480.52 | C28H24N4O4 | ACID | Details |
| B140900 | CHEMBL4745499 | -- | -- | 519.4 | C26H25Cl2FN2O4 | ACID | Details |