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 | |
|---|---|---|---|---|---|---|---|
| B138891 | CHEMBL4474400 | -- | -- | 518.78 | C32H54O5 | NEUTRAL | Details |
| B138896 | CHEMBL447451 | Small molecule | GERANYLOXYVANILLIN | 288.39 | C18H24O3 | NEUTRAL | Details |
| B138913 | CHEMBL4475517 | -- | -- | 562.79 | C33H54O7 | NEUTRAL | Details |
| B138921 | CHEMBL4476161 | -- | -- | 607.76 | C36H41N5O4 | NEUTRAL | Details |
| B138923 | CHEMBL4476319 | -- | -- | 541.64 | C30H39NO8 | NEUTRAL | Details |
| B138934 | CHEMBL447784 | Small molecule | -- | 475.54 | C29H27F2NO3 | NEUTRAL | Details |
| B138958 | CHEMBL4483715 | -- | -- | 511.42 | C25H27BrN4O3 | NEUTRAL | Details |
| B138961 | CHEMBL4483791 | -- | -- | 502.74 | C31H50O5 | NEUTRAL | Details |
| B139008 | CHEMBL450613 | Small molecule | ZERANOL | 322.4 | C18H26O5 | NEUTRAL | Details |
| B139030 | CHEMBL4513808 | -- | -- | 514.38 | C24H24Cl2F3N3O2 | ACID | Details |
| B139040 | CHEMBL451432 | Small molecule | THIACLOPRID | 252.73 | C10H9ClN4S | NEUTRAL | Details |
| B139048 | CHEMBL4514834 | -- | -- | 501.36 | C23H22BrFN4O3 | NEUTRAL | Details |
| B139053 | CHEMBL4515076 | -- | -- | 502.69 | C30H46O6 | NEUTRAL | Details |
| B139073 | CHEMBL451598 | Small molecule | ETROGOL | 206.28 | C13H18O2 | NEUTRAL | Details |
| B139089 | CHEMBL4516937 | -- | -- | 314.35 | C16H18N4O3 | NEUTRAL | Details |
| B139102 | CHEMBL4517627 | -- | -- | 559.63 | C33H29N5O4 | NEUTRAL | Details |
| B139109 | CHEMBL4518138 | -- | -- | 504.71 | C30H48O6 | NEUTRAL | Details |
| B139130 | CHEMBL4519279 | -- | -- | 430.51 | C25H26N4O3 | NEUTRAL | Details |
| B139133 | CHEMBL4519419 | -- | -- | 635.81 | C38H45N5O4 | NEUTRAL | Details |
| B139137 | CHEMBL4519596 | -- | -- | 444.66 | C27H44N2O3 | NEUTRAL | Details |
| B139139 | CHEMBL4519624 | -- | -- | 351.45 | C21H25N3O2 | NEUTRAL | Details |
| B139141 | CHEMBL4519986 | -- | -- | 504.75 | C31H52O5 | NEUTRAL | Details |
| B139172 | CHEMBL4522124 | -- | -- | 351.41 | C20H21N3O3 | ZWITTERION | Details |
| B139197 | CHEMBL4524552 | -- | -- | 362.43 | C21H22N4O2 | BASE | Details |
| B139217 | CHEMBL452683 | Small molecule | NEROL | 154.25 | C10H18O | NEUTRAL | Details |
| B139220 | CHEMBL4527188 | -- | -- | 469.34 | C22H21BrN4O3 | NEUTRAL | Details |
| B139221 | CHEMBL4527193 | -- | -- | 279.34 | C17H17N3O | NEUTRAL | Details |
| B139232 | CHEMBL45281 | Small molecule | -- | 434.2 | C18H20Cl4N4 | NEUTRAL | Details |
| B139241 | CHEMBL4528723 | -- | -- | 429.48 | C25H23N3O4 | NEUTRAL | Details |
| B139260 | CHEMBL4529552 | -- | -- | 297.28 | C14H14F3N3O | BASE | Details |
| B139264 | CHEMBL453 | Small molecule | SULFISOXAZOLE | 267.31 | C11H13N3O3S | ACID | Details |
| B139275 | CHEMBL453098 | Small molecule | -- | 408.89 | C23H21ClN2O3 | NEUTRAL | Details |
| B139286 | CHEMBL4532035 | -- | -- | 526.42 | C28H25Cl2NO5 | NEUTRAL | Details |
| B139324 | CHEMBL4535018 | -- | -- | 579.75 | C35H41N5O3 | NEUTRAL | Details |
| B139334 | CHEMBL453556 | Small molecule | ETROGOL ACETATE | 248.32 | C15H20O3 | NEUTRAL | Details |
| B139338 | CHEMBL4535717 | -- | -- | 514.75 | C32H50O5 | NEUTRAL | Details |
| B139344 | CHEMBL4535914 | -- | -- | 420.29 | C21H19Cl2NO4 | NEUTRAL | Details |
| B139358 | CHEMBL4536937 | -- | -- | 440.67 | C29H44O3 | NEUTRAL | Details |
| B139368 | CHEMBL4537738 | -- | -- | 516.37 | C23H15F7N2O4 | NEUTRAL | Details |
| B139382 | CHEMBL453863 | Small molecule | TEROXIRONE | 297.27 | C12H15N3O6 | NEUTRAL | Details |
| B139388 | CHEMBL453912 | Small molecule | -- | 410.42 | C23H20F2N2O3 | NEUTRAL | Details |
| B139389 | CHEMBL453913 | Small molecule | -- | 406.46 | C24H23FN2O3 | NEUTRAL | Details |
| B139398 | CHEMBL4539531 | -- | -- | 337.42 | C20H23N3O2 | NEUTRAL | Details |
| B139405 | CHEMBL4540228 | -- | -- | 506.72 | C30H50O6 | NEUTRAL | Details |
| B139419 | CHEMBL4541043 | -- | -- | 365.48 | C22H27N3O2 | NEUTRAL | Details |
| B139423 | CHEMBL454136 | Small molecule | -- | 422.91 | C24H23ClN2O3 | NEUTRAL | Details |
| B139424 | CHEMBL454137 | Small molecule | -- | 420.48 | C25H25FN2O3 | NEUTRAL | Details |
| B139425 | CHEMBL454138 | Small molecule | TUROFEXORATE ISOPROPYL | 438.47 | C25H24F2N2O3 | NEUTRAL | Details |
| B139428 | CHEMBL454173 | Small molecule | ZEARALENONE | 318.37 | C18H22O5 | NEUTRAL | Details |
| B139433 | CHEMBL4542410 | -- | -- | 379.46 | C22H25N3O3 | ACID | Details |
| B139438 | CHEMBL45428 | Small molecule | -- | 215.89 | C6H2Cl4 | None | Details |
| B139446 | CHEMBL454366 | Small molecule | -- | 392.43 | C23H21FN2O3 | NEUTRAL | Details |
| B139447 | CHEMBL454367 | Small molecule | -- | 406.46 | C24H23FN2O3 | NEUTRAL | Details |
| B139463 | CHEMBL454511 | Small molecule | TRIPHENYL PHOSPHATE | 326.29 | C18H15O4P | None | Details |
| B139502 | CHEMBL4547547 | -- | -- | 351.41 | C20H21N3O3 | ACID | Details |
| B139580 | CHEMBL455235 | Small molecule | -- | 640.77 | C27H46Na2O10S2 | ACID | Details |
| B139588 | CHEMBL4552760 | -- | -- | 623.75 | C36H41N5O5 | NEUTRAL | Details |
| B139594 | CHEMBL4553281 | -- | -- | 498.41 | C27H25Cl2NO4 | NEUTRAL | Details |
| B139595 | CHEMBL4553359 | -- | -- | 460.58 | C27H32N4O3 | NEUTRAL | Details |
| B139602 | CHEMBL455357 | Small molecule | -- | 426.73 | C30H50O | NEUTRAL | Details |
| B139610 | CHEMBL455491 | Small molecule | MYRCENE | 136.24 | C10H16 | None | Details |
| B139621 | CHEMBL4555840 | -- | -- | 530.75 | C32H50O6 | NEUTRAL | Details |
| B139626 | CHEMBL4556183 | -- | -- | 673.79 | C40H40FN5O4 | NEUTRAL | Details |
| B139634 | CHEMBL4556659 | -- | -- | 628.17 | C35H38ClN5O4 | NEUTRAL | Details |
| B139644 | CHEMBL4557359 | -- | -- | 558.8 | C34H54O6 | NEUTRAL | Details |
| B139663 | CHEMBL4558865 | -- | -- | 549.46 | C24H18F7NO4S | NEUTRAL | Details |
| B139677 | CHEMBL4559492 | -- | -- | 444.96 | C23H29ClN4O3 | NEUTRAL | Details |
| B139684 | CHEMBL456 | Small molecule | ETHACRYNIC ACID | 303.14 | C13H12Cl2O4 | ACID | Details |
| B139685 | CHEMBL4560147 | -- | -- | 514.75 | C32H50O5 | NEUTRAL | Details |
| B139721 | CHEMBL456237 | Small molecule | LXR-623 | 422.78 | C21H12ClF5N2 | NEUTRAL | Details |
| B139722 | CHEMBL4562404 | -- | -- | 323.4 | C19H21N3O2 | NEUTRAL | Details |
| B139723 | CHEMBL4562405 | -- | -- | 438.92 | C23H23ClN4O3 | NEUTRAL | Details |
| B139726 | CHEMBL4562865 | -- | -- | 496.39 | C27H23Cl2NO4 | NEUTRAL | Details |
| B139751 | CHEMBL4564891 | -- | -- | 337.42 | C20H23N3O2 | BASE | Details |
| B139776 | CHEMBL4566536 | -- | -- | 488.71 | C30H48O5 | NEUTRAL | Details |
| B139795 | CHEMBL4567829 | -- | -- | 470.69 | C30H46O4 | NEUTRAL | Details |
| B139819 | CHEMBL4569111 | -- | -- | 456.71 | C30H48O3 | NEUTRAL | Details |
| B139822 | CHEMBL4569266 | -- | -- | 593.73 | C35H39N5O4 | NEUTRAL | Details |
| B139846 | CHEMBL4571319 | -- | -- | 501.36 | C23H22BrFN4O3 | NEUTRAL | Details |
| B139848 | CHEMBL4571467 | -- | -- | 412.57 | C26H36O4 | NEUTRAL | Details |
| B139873 | CHEMBL4573467 | -- | -- | 365.43 | C21H23N3O3 | ZWITTERION | Details |
| B139917 | CHEMBL4575954 | -- | -- | 351.45 | C21H25N3O2 | NEUTRAL | Details |
| B139934 | CHEMBL4577381 | -- | -- | 444.54 | C26H28N4O3 | NEUTRAL | Details |
| B139935 | CHEMBL4577420 | -- | -- | 456.71 | C30H48O3 | NEUTRAL | Details |
| B139944 | CHEMBL4577891 | -- | -- | 572.62 | C31H35F3N2O5 | ZWITTERION | Details |
| B139952 | CHEMBL4578551 | -- | -- | 493.39 | C27H22Cl2N2O3 | NEUTRAL | Details |
| B139954 | CHEMBL4578763 | -- | -- | 472.71 | C30H48O4 | NEUTRAL | Details |
| B139970 | CHEMBL457977 | Small molecule | -- | 388.34 | C21H13F5N2 | NEUTRAL | Details |
| B140004 | CHEMBL4582290 | -- | -- | 601.71 | C36H35N5O4 | NEUTRAL | Details |
| B140028 | CHEMBL4585144 | -- | -- | 468.38 | C26H23Cl2NO3 | NEUTRAL | Details |
| B140069 | CHEMBL4588543 | -- | -- | 412.57 | C26H36O4 | NEUTRAL | Details |
| B140076 | CHEMBL4588863 | -- | -- | 512.39 | C27H23Cl2NO5 | ACID | Details |
| B140089 | CHEMBL4589802 | -- | -- | 550.49 | C28H21F3N4O5 | ACID | Details |
| B140091 | CHEMBL4590068 | -- | -- | 365.43 | C21H23N3O3 | ACID | Details |
| B140092 | CHEMBL459008 | Small molecule | BUTYLPARABEN | 194.23 | C11H14O3 | NEUTRAL | Details |
| B140096 | CHEMBL4590255 | -- | -- | 483.37 | C23H23BrN4O3 | NEUTRAL | Details |
| B140110 | CHEMBL4591343 | -- | -- | 351.41 | C20H21N3O3 | ACID | Details |
| B140111 | CHEMBL4591348 | -- | -- | 420.29 | C21H19Cl2NO4 | NEUTRAL | Details |
| B140113 | CHEMBL4591419 | -- | -- | 512.39 | C27H23Cl2NO5 | ACID | Details |
| B140128 | CHEMBL4592387 | -- | -- | 406.27 | C20H17Cl2NO4 | ACID | Details |