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 | |
|---|---|---|---|---|---|---|---|
| B139801 | CHEMBL4568120 | -- | -- | 388.83 | C18H13ClN2O4S | NEUTRAL | Details |
| B139802 | CHEMBL4568122 | -- | -- | 505.47 | C25H23F4N3O4 | BASE | Details |
| B139803 | CHEMBL4568124 | -- | -- | 475.27 | C20H16BrFN4O4 | NEUTRAL | Details |
| B139804 | CHEMBL4568154 | -- | -- | 319.16 | C13H11BrN4O | BASE | Details |
| B139805 | CHEMBL4568183 | -- | SR-301 | 673.84 | C34H43N9O4S | NEUTRAL | Details |
| B139806 | CHEMBL4568184 | -- | -- | 3909.5 | C181H283N43O53 | None | Details |
| B139807 | CHEMBL456820 | Small molecule | -- | 548.22 | C34H46ClN3O | NEUTRAL | Details |
| B139808 | CHEMBL4568204 | -- | -- | 540.95 | C23H22ClFN2O8S | NEUTRAL | Details |
| B139809 | CHEMBL4568230 | -- | -- | 433.51 | C22H31N3O6 | NEUTRAL | Details |
| B139810 | CHEMBL4568299 | -- | -- | 489.58 | C31H27N3O3 | ACID | Details |
| B139811 | CHEMBL456840 | Small molecule | -- | 494.68 | C32H38N4O | BASE | Details |
| B139812 | CHEMBL4568508 | -- | -- | 408.53 | C17H16N2O4S3 | NEUTRAL | Details |
| B139813 | CHEMBL4568554 | -- | -- | 556.17 | C30H38ClN3O3S | ACID | Details |
| B139814 | CHEMBL4568670 | -- | -- | 158.2 | C10H10N2 | BASE | Details |
| B139815 | CHEMBL4568671 | -- | -- | 440.96 | C22H21ClN4O2S | NEUTRAL | Details |
| B139816 | CHEMBL4568735 | -- | NVS-MALT1 | 574.03 | C24H27ClF3N5O4S | NEUTRAL | Details |
| B139817 | CHEMBL4568982 | -- | -- | 277.71 | C13H12ClN3O2 | NEUTRAL | Details |
| B139818 | CHEMBL4569018 | -- | -- | 272.09 | C9H9IN2 | BASE | Details |
| B139819 | CHEMBL4569111 | -- | -- | 456.71 | C30H48O3 | NEUTRAL | Details |
| B139820 | CHEMBL456912 | Small molecule | -- | 419.43 | C24H21NO6 | NEUTRAL | Details |
| B139821 | CHEMBL4569152 | -- | -- | 422.56 | C22H26N6OS | NEUTRAL | Details |
| B139822 | CHEMBL4569266 | -- | -- | 593.73 | C35H39N5O4 | NEUTRAL | Details |
| B139823 | CHEMBL4569388 | -- | -- | 415.46 | C22H21N7O2 | NEUTRAL | Details |
| B139824 | CHEMBL4569453 | -- | -- | 405.88 | C15H21ClFN5O3S | BASE | Details |
| B139825 | CHEMBL4569656 | -- | -- | 273.34 | C18H15N3 | BASE | Details |
| B139826 | CHEMBL456973 | Small molecule | -- | 493.62 | C30H36FNO4 | ACID | Details |
| B139827 | CHEMBL456974 | Small molecule | -- | 507.65 | C31H38FNO4 | ACID | Details |
| B139828 | CHEMBL4569807 | -- | -- | 441.13 | C15H15Br2N5O | NEUTRAL | Details |
| B139829 | CHEMBL456987 | Small molecule | -- | 402.49 | C25H19FO2S | ACID | Details |
| B139830 | CHEMBL4569870 | -- | -- | 355.48 | C22H29NO3 | NEUTRAL | Details |
| B139831 | CHEMBL4569975 | -- | -- | 395.43 | C22H22FN3O3 | NEUTRAL | Details |
| B139832 | CHEMBL457 | Small molecule | GEMFIBROZIL | 250.34 | C15H22O3 | ACID | Details |
| B139833 | CHEMBL4570033 | -- | -- | 338.79 | C19H15ClN2O2 | NEUTRAL | Details |
| B139834 | CHEMBL4570142 | -- | -- | 453.87 | C17H19ClF3N3O4S | BASE | Details |
| B139835 | CHEMBL457043 | Small molecule | -- | 553.77 | C31H43N3O4S | BASE | Details |
| B139836 | CHEMBL457044 | Small molecule | -- | 510.12 | C30H40ClN3O2 | BASE | Details |
| B139837 | CHEMBL4570541 | -- | -- | 528.97 | C29H22ClFN4O3 | ACID | Details |
| B139838 | CHEMBL4570596 | -- | -- | 303.74 | C13H18ClNO5 | NEUTRAL | Details |
| B139839 | CHEMBL457062 | Small molecule | -- | 562.71 | C32H42N4O5 | ACID | Details |
| B139840 | CHEMBL4570684 | -- | -- | 407.5 | C22H21N3O3S | NEUTRAL | Details |
| B139841 | CHEMBL4570730 | -- | -- | 499.87 | C17H21Cl3N4O3S2 | NEUTRAL | Details |
| B139842 | CHEMBL4570840 | -- | -- | 811.95 | C37H57N13O8 | BASE | Details |
| B139843 | CHEMBL4570855 | -- | -- | 363.81 | C16H18ClN5O3 | NEUTRAL | Details |
| B139844 | CHEMBL4570877 | -- | -- | 494.53 | C29H23FN4O3 | ACID | Details |
| B139845 | CHEMBL4571105 | -- | -- | 487.56 | C28H29N3O5 | NEUTRAL | Details |
| B139846 | CHEMBL4571319 | -- | -- | 501.36 | C23H22BrFN4O3 | NEUTRAL | Details |
| B139847 | CHEMBL4571382 | -- | -- | 966.15 | C46H71N13O10 | ZWITTERION | Details |
| B139848 | CHEMBL4571467 | -- | -- | 412.57 | C26H36O4 | NEUTRAL | Details |
| B139849 | CHEMBL4571498 | -- | -- | 520.74 | C25H32N2O4S3 | ACID | Details |
| B139850 | CHEMBL4571559 | -- | -- | 193.27 | C10H11NOS | BASE | Details |
| B139851 | CHEMBL4571633 | -- | -- | 433.84 | C21H18ClF2N3O3 | NEUTRAL | Details |
| B139852 | CHEMBL4571719 | -- | -- | 407.21 | C15H14IN5O | NEUTRAL | Details |
| B139853 | CHEMBL457184 | Small molecule | -- | 348.35 | C22H14F2O2 | ACID | Details |
| B139854 | CHEMBL4571904 | -- | -- | 205.29 | C10H11N3S | BASE | Details |
| B139855 | CHEMBL457194 | Small molecule | -- | 392.38 | C24H15F3O2 | ACID | Details |
| B139856 | CHEMBL4571959 | -- | -- | 317.77 | C17H16ClNO3 | NEUTRAL | Details |
| B139857 | CHEMBL4571975 | -- | -- | 531.46 | C26H21F4N3O5 | ACID | Details |
| B139858 | CHEMBL4572017 | -- | -- | 328.37 | C17H20N4O3 | NEUTRAL | Details |
| B139859 | CHEMBL457221 | Small molecule | -- | 564.61 | C26H32N2O10S | NEUTRAL | Details |
| B139860 | CHEMBL4572326 | -- | -- | 609.6 | C32H30F3N3O6 | ACID | Details |
| B139861 | CHEMBL4572408 | -- | -- | 2297.75 | C111H165N33O21 | None | Details |
| B139862 | CHEMBL4572658 | -- | -- | 545.46 | C28H20F5NO5 | ACID | Details |
| B139863 | CHEMBL4572776 | -- | -- | 531.41 | C22H19F6N5O4 | BASE | Details |
| B139864 | CHEMBL4572833 | -- | -- | 360.21 | C15H14BrN5O | NEUTRAL | Details |
| B139865 | CHEMBL4572866 | -- | -- | 284.32 | C15H16N4O2 | NEUTRAL | Details |
| B139866 | CHEMBL4572891 | -- | -- | 460.55 | C29H29FO4 | ACID | Details |
| B139867 | CHEMBL4572903 | -- | -- | 314.39 | C18H22N2O3 | NEUTRAL | Details |
| B139868 | CHEMBL457299 | Small molecule | MACROGOL | 62.07 | C2H6O2 | NEUTRAL | Details |
| B139869 | CHEMBL4573250 | -- | -- | 925.11 | C43H68N14O9 | BASE | Details |
| B139870 | CHEMBL4573381 | -- | -- | 380.92 | C17H17ClN2O2S2 | NEUTRAL | Details |
| B139871 | CHEMBL4573398 | -- | -- | 276.34 | C17H16N4 | BASE | Details |
| B139872 | CHEMBL4573403 | -- | -- | 441.4 | C20H15F4NO4S | ACID | Details |
| B139873 | CHEMBL4573467 | -- | -- | 365.43 | C21H23N3O3 | ZWITTERION | Details |
| B139874 | CHEMBL4573549 | -- | -- | 240.33 | C14H12N2S | BASE | Details |
| B139875 | CHEMBL457358 | Small molecule | -- | 342.44 | C20H26N2O3 | NEUTRAL | Details |
| B139876 | CHEMBL457359 | Small molecule | -- | 336.39 | C17H24N2O5 | NEUTRAL | Details |
| B139877 | CHEMBL457360 | Small molecule | -- | 308.33 | C15H20N2O5 | NEUTRAL | Details |
| B139878 | CHEMBL457361 | Small molecule | -- | 322.36 | C16H22N2O5 | NEUTRAL | Details |
| B139879 | CHEMBL4573809 | -- | -- | 549.45 | C18H17Cl2F3N2O4S3 | NEUTRAL | Details |
| B139880 | CHEMBL457404 | Small molecule | -- | 356.4 | C24H17FO2 | ACID | Details |
| B139881 | CHEMBL457405 | Small molecule | -- | 525.64 | C31H37F2NO4 | ACID | Details |
| B139882 | CHEMBL4574199 | -- | -- | 962.08 | C45H63N13O11 | ZWITTERION | Details |
| B139883 | CHEMBL4574207 | -- | -- | 318.85 | C12H15ClN2O2S2 | NEUTRAL | Details |
| B139884 | CHEMBL4574276 | -- | -- | 1286.02 | C78H128N2O8S2 | None | Details |
| B139885 | CHEMBL457430 | Small molecule | -- | 510.49 | C24H30O12 | NEUTRAL | Details |
| B139886 | CHEMBL457432 | Small molecule | -- | 383.35 | C14H25NO11 | NEUTRAL | Details |
| B139887 | CHEMBL4574361 | -- | -- | 412.52 | C15H16N4O4S3 | NEUTRAL | Details |
| B139888 | CHEMBL4574376 | -- | -- | 262.32 | C16H14N4 | BASE | Details |
| B139889 | CHEMBL457440 | Small molecule | -- | 582.66 | C34H45Cl2N3O | NEUTRAL | Details |
| B139890 | CHEMBL4574471 | -- | -- | 491.64 | C28H37N5O3 | BASE | Details |
| B139891 | CHEMBL4574542 | -- | -- | 572.71 | C33H40N4O5 | ACID | Details |
| B139892 | CHEMBL4574592 | -- | -- | 356.42 | C21H24O5 | NEUTRAL | Details |
| B139893 | CHEMBL4574655 | -- | -- | 942.04 | C42H63N13O12 | ZWITTERION | Details |
| B139894 | CHEMBL4574669 | -- | -- | 395.46 | C21H25N5O3 | NEUTRAL | Details |
| B139895 | CHEMBL4574711 | -- | -- | 506.64 | C30H38N2O5 | NEUTRAL | Details |
| B139896 | CHEMBL4574820 | -- | -- | 509.05 | C24H30ClFN4O3S | BASE | Details |
| B139897 | CHEMBL4574857 | -- | -- | 353.3 | C17H14F3NO4 | NEUTRAL | Details |
| B139898 | CHEMBL4574891 | -- | -- | 242.33 | C14H18N4 | NEUTRAL | Details |
| B139899 | CHEMBL4574909 | -- | -- | 282.3 | C17H14O4 | NEUTRAL | Details |
| B139900 | CHEMBL4574983 | -- | -- | 500.86 | C25H16ClF3N2O4 | ACID | Details |