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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Bile acid receptor2251 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B140598 | CHEMBL467269 | Small molecule | -- | 570.9 | C30H26Cl3NO4 | ACID | Details |
| B140600 | CHEMBL46730 | Small molecule | PHENANTHRENE | 178.23 | C14H10 | None | Details |
| B140611 | CHEMBL467814 | Small molecule | ALISOL A | 490.73 | C30H50O5 | NEUTRAL | Details |
| B140612 | CHEMBL467906 | Small molecule | -- | 582.91 | C31H26Cl3NO4 | ACID | Details |
| B140618 | CHEMBL468110 | Small molecule | -- | 554.86 | C29H22Cl3NO4 | ACID | Details |
| B140623 | CHEMBL468167 | Small molecule | CHLOROTHALONIL | 265.91 | C8Cl4N2 | None | Details |
| B140625 | CHEMBL468303 | Small molecule | -- | 487.98 | C29H26ClNO4 | ACID | Details |
| B140626 | CHEMBL468304 | Small molecule | -- | 502.01 | C30H28ClNO4 | ACID | Details |
| B140634 | CHEMBL468714 | Small molecule | -- | 604.94 | C29H24Cl3NO5S | ACID | Details |
| B140638 | CHEMBL468734 | Small molecule | -- | 526.02 | C25H24ClN5O4S | ACID | Details |
| B140640 | CHEMBL468759 | Small molecule | PENTACHLORONITROBENZENE | 295.34 | C6Cl5NO2 | None | Details |
| B140643 | CHEMBL468939 | Small molecule | -- | 532.04 | C31H30ClNO5 | ACID | Details |
| B140647 | CHEMBL469128 | Small molecule | -- | 538.43 | C29H25Cl2NO5 | ACID | Details |
| B140648 | CHEMBL469135 | Small molecule | -- | 543.83 | C27H21Cl3N2O4 | ACID | Details |
| B140649 | CHEMBL46917 | Small molecule | CARBARIL | 201.22 | C12H11NO2 | NEUTRAL | Details |
| B140650 | CHEMBL46931 | Small molecule | ORTHOCRESOL | 108.14 | C7H8O | NEUTRAL | Details |
| B140772 | CHEMBL473535 | Small molecule | FENTICLOR | 287.17 | C12H8Cl2O2S | ACID | Details |
| B140796 | CHEMBL4740276 | -- | -- | 270.33 | C16H18N2O2 | ACID | Details |
| B140800 | CHEMBL4740500 | -- | -- | 565.75 | C28H48NNaO7S | ACID | Details |
| B140806 | CHEMBL4740734 | -- | -- | 366.36 | C17H13F3N2O2S | ACID | Details |
| B140807 | CHEMBL4740844 | -- | -- | 436.63 | C26H44O5 | ACID | Details |
| B140828 | CHEMBL4741685 | -- | -- | 558.56 | C28H29F3N4O5 | NEUTRAL | Details |
| B140832 | CHEMBL4741830 | -- | -- | 556.01 | C29H28ClF2N3O4 | ACID | Details |
| B140844 | CHEMBL4742812 | -- | -- | 560.02 | C27H24ClF2N3O4S | ACID | Details |
| B140858 | CHEMBL4743486 | -- | -- | 571.57 | C30H29F4N3O4 | ACID | Details |
| B140861 | CHEMBL4743594 | -- | -- | 590.6 | C29H26F4N2O5S | ACID | Details |
| B140877 | CHEMBL4744582 | -- | -- | 427.33 | C22H20Cl2N4O | NEUTRAL | Details |
| B140886 | CHEMBL4745008 | -- | -- | 520.39 | C25H24Cl2FN3O4 | ACID | Details |
| B140900 | CHEMBL4745499 | -- | -- | 519.4 | C26H25Cl2FN2O4 | ACID | Details |
| B140909 | CHEMBL4746218 | -- | -- | 370.4 | C24H18O4 | ACID | Details |
| B140912 | CHEMBL4746270 | -- | -- | 524.59 | C28H26F2N2O4S | ACID | Details |
| B140919 | CHEMBL4746765 | -- | -- | 545.51 | C27H26F3N3O6 | ACID | Details |
| B140923 | CHEMBL4746964 | -- | -- | 559.54 | C28H28F3N3O6 | NEUTRAL | Details |
| B140925 | CHEMBL4747132 | -- | -- | 558.56 | C28H29F3N4O5 | NEUTRAL | Details |
| B140926 | CHEMBL4747240 | -- | -- | 586.49 | C30H30Cl2FN3O4 | ACID | Details |
| B140929 | CHEMBL4747457 | -- | -- | 297.4 | C19H23NO2 | ACID | Details |
| B140934 | CHEMBL4747855 | -- | -- | 635.61 | C30H26F5N3O5S | ACID | Details |
| B140945 | CHEMBL4748312 | -- | -- | 287.36 | C17H21NO3 | ACID | Details |
| B140954 | CHEMBL4748755 | -- | -- | 273.34 | C15H19N3O2 | ACID | Details |
| B140957 | CHEMBL4749105 | -- | -- | 354.48 | C20H22N2O2S | ACID | Details |
| B140959 | CHEMBL4749142 | -- | -- | 601.6 | C31H31F4N3O5 | ACID | Details |
| B140964 | CHEMBL4749439 | -- | -- | 637.76 | C37H40FN5O4 | NEUTRAL | Details |
| B140977 | CHEMBL4750348 | -- | -- | 609.57 | C28H24F5N3O5S | ACID | Details |
| B140983 | CHEMBL4750751 | -- | -- | 382.36 | C17H13F3N2O3S | ACID | Details |
| B140986 | CHEMBL4751112 | -- | -- | 593.57 | C28H24F5N3O4S | ACID | Details |
| B140995 | CHEMBL4751757 | -- | -- | 613.61 | C32H31F4N3O5 | ACID | Details |
| B141001 | CHEMBL4751890 | -- | -- | 572.46 | C29H28Cl2FN3O4 | ACID | Details |
| B141019 | CHEMBL4753047 | -- | -- | 501.51 | C26H26F3N3O4 | NEUTRAL | Details |
| B141029 | CHEMBL4753329 | -- | -- | 570.04 | C30H30ClF2N3O4 | ACID | Details |
| B141037 | CHEMBL4753607 | -- | -- | 587.57 | C30H29F4N3O5 | ACID | Details |
| B141054 | CHEMBL4754552 | -- | -- | 390.46 | C22H18N2O3S | ACID | Details |
| B141061 | CHEMBL4755001 | -- | -- | 573.57 | C29H30F3N3O6 | NEUTRAL | Details |
| B141091 | CHEMBL4756964 | -- | -- | 272.35 | C16H20N2O2 | ACID | Details |
| B141093 | CHEMBL4756996 | -- | -- | 559.42 | C28H25Cl2FN2O5 | ACID | Details |
| B141102 | CHEMBL4757540 | -- | -- | 575.49 | C28H25Cl2FN2O4S | ACID | Details |
| B141104 | CHEMBL4757629 | -- | -- | 274.32 | C15H18N2O3 | ACID | Details |
| B141107 | CHEMBL4757695 | -- | -- | 286.38 | C17H22N2O2 | ACID | Details |
| B141114 | CHEMBL4758064 | -- | -- | 436.63 | C26H44O5 | ACID | Details |
| B141123 | CHEMBL4758363 | -- | -- | 436.63 | C26H44O5 | ACID | Details |
| B141130 | CHEMBL4758738 | -- | -- | 559.54 | C28H28F3N3O6 | NEUTRAL | Details |
| B141134 | CHEMBL4759025 | -- | -- | 427.34 | C22H20Cl2N4O | NEUTRAL | Details |
| B141161 | CHEMBL4760112 | -- | -- | 545.51 | C27H26F3N3O6 | ACID | Details |
| B141174 | CHEMBL4760686 | -- | -- | 609.57 | C28H24F5N3O5S | ACID | Details |
| B141187 | CHEMBL4761277 | -- | -- | 531.53 | C27H28F3N3O5 | NEUTRAL | Details |
| B141208 | CHEMBL4762018 | -- | -- | 573.57 | C29H30F3N3O6 | NEUTRAL | Details |
| B141224 | CHEMBL4762763 | -- | -- | 312.39 | C17H16N2O2S | ACID | Details |
| B141228 | CHEMBL476302 | Small molecule | -- | 532.42 | C30H23Cl2NO4 | ACID | Details |
| B141241 | CHEMBL4763612 | -- | -- | 576.48 | C27H24Cl2FN3O4S | ACID | Details |
| B141246 | CHEMBL4763830 | -- | -- | 587.57 | C30H29F4N3O5 | ACID | Details |
| B141248 | CHEMBL4763935 | -- | -- | 538.02 | C29H29ClFN3O4 | ACID | Details |
| B141292 | CHEMBL4776080 | -- | -- | 586.49 | C30H30Cl2FN3O4 | ACID | Details |
| B141311 | CHEMBL4777088 | -- | -- | 559.43 | C27H25Cl2FN4O4 | ACID | Details |
| B141330 | CHEMBL4778278 | -- | -- | 578.01 | C27H23ClF3N3O4S | ACID | Details |
| B141334 | CHEMBL4778597 | -- | -- | 587.57 | C30H29F4N3O5 | ACID | Details |
| B141335 | CHEMBL4778665 | -- | -- | 623.73 | C36H38FN5O4 | NEUTRAL | Details |
| B141338 | CHEMBL4778910 | -- | -- | 594.47 | C27H23Cl2F2N3O4S | ACID | Details |
| B141352 | CHEMBL4779832 | -- | -- | 574.6 | C29H26F4N2O4S | ACID | Details |
| B141362 | CHEMBL4780363 | -- | -- | 590.6 | C29H26F4N2O5S | ACID | Details |
| B141379 | CHEMBL4781152 | -- | -- | 374.46 | C22H18N2O2S | ACID | Details |
| B141380 | CHEMBL4781153 | -- | -- | 627.63 | C33H33F4N3O5 | ACID | Details |
| B141412 | CHEMBL4783205 | -- | -- | 641.72 | C36H37F2N5O4 | NEUTRAL | Details |
| B141426 | CHEMBL4783777 | -- | -- | 615.68 | C34H35F2N5O4 | NEUTRAL | Details |
| B141457 | CHEMBL4785785 | -- | -- | 531.53 | C27H28F3N3O5 | NEUTRAL | Details |
| B141461 | CHEMBL4785930 | -- | -- | 649.79 | C38H43N5O5 | NEUTRAL | Details |
| B141473 | CHEMBL4786636 | -- | -- | 569.46 | C30H27Cl2FN2O4 | ACID | Details |
| B141510 | CHEMBL4788565 | -- | -- | 312.39 | C17H16N2O2S | ACID | Details |
| B141535 | CHEMBL4789946 | -- | -- | 299.41 | C19H25NO2 | ACID | Details |
| B141544 | CHEMBL4790262 | -- | -- | 515.67 | C28H46NNaO6 | ACID | Details |
| B141554 | CHEMBL4791413 | -- | -- | 609.57 | C28H24F5N3O5S | ACID | Details |
| B141561 | CHEMBL4791913 | -- | -- | 543.57 | C27H24F3N3O4S | ACID | Details |
| B141620 | CHEMBL4794704 | -- | -- | 616.63 | C31H28F4N2O5S | ACID | Details |
| B141654 | CHEMBL4796666 | -- | -- | 271.36 | C17H21NO2 | ACID | Details |
| B141671 | CHEMBL4797745 | -- | -- | 627.72 | C35H38FN5O5 | NEUTRAL | Details |
| B141674 | CHEMBL4797841 | -- | -- | 348.43 | C20H16N2O2S | ACID | Details |
| B141704 | CHEMBL4800066 | -- | -- | 521.56 | C29H29F2N3O4 | ACID | Details |
| B141706 | CHEMBL4800163 | -- | -- | 575.49 | C28H25Cl2FN2O4S | ACID | Details |
| B141715 | CHEMBL4800570 | -- | -- | 332.81 | C16H13ClN2O2S | ACID | Details |
| B141720 | CHEMBL4802042 | -- | -- | 581.12 | C34H33ClN4O3 | NEUTRAL | Details |
| B141794 | CHEMBL483187 | Small molecule | -- | 446.51 | C29H22N2O3 | NEUTRAL | Details |
| B141795 | CHEMBL483188 | Small molecule | -- | 368.43 | C22H24O5 | NEUTRAL | Details |