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 | |
|---|---|---|---|---|---|---|---|
| B145801 | CHEMBL94512 | Small molecule | -- | 164.23 | C8H8N2S | NEUTRAL | Details |
| B145802 | CHEMBL9470 | Small molecule | SHIKONIN | 288.3 | C16H16O5 | NEUTRAL | Details |
| B145803 | CHEMBL94716 | Small molecule | -- | 533.69 | C31H35NO5S | ACID | Details |
| B145804 | CHEMBL94866 | Small molecule | -- | 405.47 | C20H23NO6S | ACID | Details |
| B145805 | CHEMBL94912 | Small molecule | -- | 391.45 | C19H21NO6S | ACID | Details |
| B145806 | CHEMBL95 | Small molecule | TACRINE | 198.27 | C13H14N2 | BASE | Details |
| B145807 | CHEMBL95014 | Small molecule | -- | 403.46 | C20H21NO6S | ACID | Details |
| B145808 | CHEMBL95094 | Small molecule | -- | 319.34 | C15H13NO5S | ACID | Details |
| B145809 | CHEMBL9514 | Small molecule | NOCODAZOLE | 301.33 | C14H11N3O3S | NEUTRAL | Details |
| B145810 | CHEMBL95336 | Small molecule | -- | 622.98 | C20H17Br4NO2 | NEUTRAL | Details |
| B145811 | CHEMBL95367 | Small molecule | DEHYDROIMIDACLOPRID | 253.65 | C9H8ClN5O2 | ACID | Details |
| B145812 | CHEMBL954 | Small molecule | ENCLOMIPHENE | 405.97 | C26H28ClNO | BASE | Details |
| B145813 | CHEMBL95431 | Small molecule | CARBOXYAMIDOTRIAZOLE | 424.68 | C17H12Cl3N5O2 | NEUTRAL | Details |
| B145814 | CHEMBL95508 | Small molecule | -- | 428.87 | C22H21ClN2O5 | NEUTRAL | Details |
| B145815 | CHEMBL95615 | Small molecule | -- | 376.87 | C17H17ClN4O2S | NEUTRAL | Details |
| B145816 | CHEMBL95704 | Small molecule | -- | 323.36 | C17H17N5O2 | NEUTRAL | Details |
| B145817 | CHEMBL95764 | Small molecule | GLYPHOSATE | 169.07 | C3H8NO5P | ACID | Details |
| B145818 | CHEMBL95770 | Small molecule | 4-METHOXYCINNAMIC ACID | 178.19 | C10H10O3 | ACID | Details |
| B145819 | CHEMBL959 | Small molecule | RIMANTADINE | 179.31 | C12H21N | BASE | Details |
| B145820 | CHEMBL9599 | Small molecule | SC-55634 | 485.64 | C28H35N7O | ACID | Details |
| B145821 | CHEMBL96 | Small molecule | GAMMA-AMINOBUTYRIC ACID | 103.12 | C4H9NO2 | ZWITTERION | Details |
| B145822 | CHEMBL960 | Small molecule | LEFLUNOMIDE | 270.21 | C12H9F3N2O2 | NEUTRAL | Details |
| B145823 | CHEMBL96066 | Small molecule | -- | 417.48 | C21H23NO6S | ACID | Details |
| B145824 | CHEMBL96069 | Small molecule | -- | 455.44 | C22H17NO8S | ACID | Details |
| B145825 | CHEMBL96107 | Small molecule | -- | 435.5 | C24H21NO5S | ACID | Details |
| B145826 | CHEMBL96143 | Small molecule | -- | 509.6 | C28H28FNO5S | ACID | Details |
| B145827 | CHEMBL96181 | Small molecule | -- | 349.36 | C16H15NO6S | ACID | Details |
| B145828 | CHEMBL96217 | Small molecule | -- | 428.6 | C29H33FN2 | BASE | Details |
| B145829 | CHEMBL96242 | Small molecule | -- | 509.74 | C31H47N3O3 | BASE | Details |
| B145830 | CHEMBL96314 | Small molecule | -- | 729.2 | C36H33ClF4N4O4S | ACID | Details |
| B145831 | CHEMBL96334 | Small molecule | -- | 391.45 | C19H21NO6S | ACID | Details |
| B145832 | CHEMBL9637 | Small molecule | -- | 260.32 | C13H12N2O2S | ZWITTERION | Details |
| B145833 | CHEMBL964 | Small molecule | DISULFIRAM | 296.55 | C10H20N2S4 | None | Details |
| B145834 | CHEMBL9642 | Small molecule | SC-52892 | 431.54 | C24H29N7O | ACID | Details |
| B145835 | CHEMBL96451 | Small molecule | -- | 495.57 | C27H26FNO5S | ACID | Details |
| B145836 | CHEMBL96496 | Small molecule | -- | 405.41 | C19H23N3O7 | NEUTRAL | Details |
| B145837 | CHEMBL96552 | Small molecule | -- | 490.52 | C28H22N6O3 | ACID | Details |
| B145838 | CHEMBL96554 | Small molecule | -- | 672.77 | C34H39F3N4O5S | ACID | Details |
| B145839 | CHEMBL96758 | Small molecule | -- | 553.68 | C33H31NO5S | ACID | Details |
| B145840 | CHEMBL96907 | Small molecule | -- | 363.39 | C17H17NO6S | ACID | Details |
| B145841 | CHEMBL9714 | Small molecule | SC-51895 | 430.56 | C25H30N6O | ACID | Details |
| B145842 | CHEMBL97162 | Small molecule | -- | 368.41 | C20H21FN4O2 | NEUTRAL | Details |
| B145843 | CHEMBL97187 | Small molecule | -- | 464.56 | C28H32O6 | ACID | Details |
| B145844 | CHEMBL972 | Small molecule | SELEGILINE | 187.29 | C13H17N | BASE | Details |
| B145845 | CHEMBL97453 | Small molecule | WEDELOLACTONE | 314.25 | C16H10O7 | NEUTRAL | Details |
| B145846 | CHEMBL975 | Small molecule | MESNA | 164.18 | C2H5NaO3S2 | ACID | Details |
| B145847 | CHEMBL97529 | Small molecule | -- | 545.7 | C32H35NO5S | ACID | Details |
| B145848 | CHEMBL97533 | Small molecule | -- | 474.58 | C27H26N2O4S | ACID | Details |
| B145849 | CHEMBL97542 | Small molecule | 7-HYDROXYFLAVANONE | 240.26 | C15H12O3 | NEUTRAL | Details |
| B145850 | CHEMBL976 | Small molecule | PRAZIQUANTEL | 312.41 | C19H24N2O2 | NEUTRAL | Details |
| B145851 | CHEMBL97613 | Small molecule | -- | 368.47 | C23H28O4 | ACID | Details |
| B145852 | CHEMBL97771 | Small molecule | -- | 373.41 | C22H19N3O3 | NEUTRAL | Details |
| B145853 | CHEMBL97797 | Small molecule | -- | 180.23 | C8H8N2OS | NEUTRAL | Details |
| B145854 | CHEMBL97846 | Small molecule | -- | 462.93 | C26H23ClN2O4 | NEUTRAL | Details |
| B145855 | CHEMBL98 | Small molecule | VORINOSTAT | 264.32 | C14H20N2O3 | NEUTRAL | Details |
| B145856 | CHEMBL980 | Small molecule | GUAIFENESIN | 198.22 | C10H14O4 | NEUTRAL | Details |
| B145857 | CHEMBL981 | Small molecule | FENOFIBRIC ACID | 318.76 | C17H15ClO4 | ACID | Details |
| B145858 | CHEMBL98123 | Small molecule | PAPAVERINE HYDROCHLORIDE | 375.85 | C20H22ClNO4 | NEUTRAL | Details |
| B145859 | CHEMBL98135 | Small molecule | -- | 386.49 | C23H30O5 | ACID | Details |
| B145860 | CHEMBL98245 | Small molecule | -- | 342.38 | C17H14N2O4S | NEUTRAL | Details |
| B145861 | CHEMBL983 | Small molecule | SUCCINYLCHOLINE CHLORIDE | 361.31 | C14H30Cl2N2O4 | NEUTRAL | Details |
| B145862 | CHEMBL98350 | Small molecule | LY-294002 | 307.35 | C19H17NO3 | NEUTRAL | Details |
| B145863 | CHEMBL98352 | Small molecule | -- | 229.1 | C7H5BrN2S | NEUTRAL | Details |
| B145864 | CHEMBL98386 | Small molecule | -- | 261.73 | C13H8ClNOS | None | Details |
| B145865 | CHEMBL985 | Small molecule | UREA | 60.06 | CH4N2O | NEUTRAL | Details |
| B145866 | CHEMBL9850 | Small molecule | -- | 268.23 | C10H12N4O5 | NEUTRAL | Details |
| B145867 | CHEMBL986 | Small molecule | RETINOL | 286.46 | C20H30O | NEUTRAL | Details |
| B145868 | CHEMBL98682 | Small molecule | -- | 194.24 | C13H10N2 | NEUTRAL | Details |
| B145869 | CHEMBL989 | Small molecule | FLUOCINOLONE ACETONIDE | 452.49 | C24H30F2O6 | NEUTRAL | Details |
| B145870 | CHEMBL99 | Small molecule | TRICHOSTATIN | 302.37 | C17H22N2O3 | NEUTRAL | Details |
| B145871 | CHEMBL990 | Small molecule | BUTENAFINE | 317.48 | C23H27N | BASE | Details |
| B145872 | CHEMBL991 | Small molecule | STAVUDINE | 224.22 | C10H12N2O4 | NEUTRAL | Details |
| B145873 | CHEMBL99203 | Small molecule | IODOTUBERCIDIN | 392.15 | C11H13IN4O4 | NEUTRAL | Details |
| B145874 | CHEMBL99221 | Small molecule | ANCRIVIROC | 339.3 | C19H11F2NO3 | ACID | Details |
| B145875 | CHEMBL99313 | Small molecule | -- | 241.32 | C14H11NOS | None | Details |
| B145876 | CHEMBL99384 | Small molecule | -- | 236.32 | C16H16N2 | NEUTRAL | Details |
| B145877 | CHEMBL994 | Small molecule | -- | 357.35 | C15H24N3O5P | BASE | Details |
| B145878 | CHEMBL99408 | Small molecule | -- | 144.18 | C9H8N2 | NEUTRAL | Details |
| B145879 | CHEMBL995 | Small molecule | LOSARTAN POTASSIUM | 461.01 | C22H22ClKN6O | ACID | Details |
| B145880 | CHEMBL99680 | Small molecule | -- | 440.5 | C24H28N2O6 | NEUTRAL | Details |
| B145881 | CHEMBL99681 | Small molecule | -- | 440.5 | C24H28N2O6 | NEUTRAL | Details |
| B145882 | CHEMBL99788 | Small molecule | -- | 532.77 | C34H48N2O3 | BASE | Details |
| B145883 | CHEMBL998 | Small molecule | LORATADINE | 382.89 | C22H23ClN2O2 | NEUTRAL | Details |
| B145884 | CHEMBL99838 | Small molecule | -- | 476.59 | C28H37NaO5 | ACID | Details |
| B145885 | CHEMBL99900 | Small molecule | -- | 396.01 | C13H6Cl4N2O4 | NEUTRAL | Details |
| B145886 | CHEMBL99909 | Small molecule | -- | 488.72 | C32H44N2O2 | ZWITTERION | Details |
| B145887 | CHEMBL99999 | Small molecule | -- | 432.52 | C23H32N2O6 | NEUTRAL | Details |
| B145888 | CHEMBL1531955 | Small molecule | -- | 467.98 | C24H22ClN3O3S | NEUTRAL | Details |
| B145889 | CHEMBL1460252 | Small molecule | -- | 340.33 | C19H16O6 | NEUTRAL | Details |
| B145890 | CHEMBL1491688 | Small molecule | -- | 359.88 | C18H18ClN3OS | NEUTRAL | Details |
| B145891 | CHEMBL1360942 | Small molecule | -- | 319.3 | C13H9N3O5S | NEUTRAL | Details |
| B145892 | CHEMBL1528593 | Small molecule | -- | 360.53 | C23H24N2S | ZWITTERION | Details |
| B145893 | CHEMBL1521263 | Small molecule | -- | 470.52 | C24H21F3N4OS | NEUTRAL | Details |
| B145894 | CHEMBL1461040 | Small molecule | -- | 264.37 | C12H12N2OS2 | NEUTRAL | Details |
| B145895 | CHEMBL1455938 | Small molecule | -- | 320.46 | C17H24N2O2S | NEUTRAL | Details |
| B145896 | CHEMBL1509135 | Small molecule | -- | 456.53 | C25H20N4O3S | NEUTRAL | Details |
| B145897 | CHEMBL1271116 | Small molecule | -- | 418.45 | C23H15FN2O3S | NEUTRAL | Details |
| B145898 | CHEMBL1452827 | Small molecule | -- | 453.59 | C23H23N3O3S2 | NEUTRAL | Details |
| B145899 | CHEMBL1487717 | Small molecule | -- | 352.43 | C21H24N2O3 | NEUTRAL | Details |
| B145900 | CHEMBL1456632 | Small molecule | -- | 467.39 | C22H19BrN4OS | NEUTRAL | Details |