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 | |
|---|---|---|---|---|---|---|---|
| B139401 | CHEMBL453974 | Small molecule | -- | 364.78 | C18H17ClO6 | NEUTRAL | Details |
| B139402 | CHEMBL453981 | Small molecule | GANODERIC ACID F | 570.68 | C32H42O9 | ACID | Details |
| B139403 | CHEMBL4539943 | -- | BAY-694 | 505.57 | C28H31N3O6 | ACID | Details |
| B139404 | CHEMBL4540025 | -- | -- | 306.36 | C17H22O5 | NEUTRAL | Details |
| B139405 | CHEMBL4540228 | -- | -- | 506.72 | C30H50O6 | NEUTRAL | Details |
| B139406 | CHEMBL4540458 | -- | -- | 544.65 | C31H36N4O5 | ACID | Details |
| B139407 | CHEMBL4540485 | -- | -- | 268.36 | C11H12N2O2S2 | NEUTRAL | Details |
| B139408 | CHEMBL4540490 | -- | -- | 187.2 | C11H9NO2 | BASE | Details |
| B139409 | CHEMBL4540543 | -- | -- | 259.4 | C11H17NO2S2 | NEUTRAL | Details |
| B139410 | CHEMBL4540607 | -- | -- | 536.56 | C31H25FN4O4 | ACID | Details |
| B139411 | CHEMBL4540610 | -- | -- | 366.9 | C16H15ClN2O2S2 | NEUTRAL | Details |
| B139412 | CHEMBL4540611 | -- | -- | 455.52 | C21H17N3O5S2 | ACID | Details |
| B139413 | CHEMBL454065 | Small molecule | -- | 386.4 | C21H22O7 | NEUTRAL | Details |
| B139414 | CHEMBL454066 | Small molecule | -- | 370.4 | C21H22O6 | NEUTRAL | Details |
| B139415 | CHEMBL4540729 | -- | -- | 198.68 | C8H7ClN2S | NEUTRAL | Details |
| B139416 | CHEMBL4540759 | -- | BI 0054 | 382.39 | C18H21F3N4O2 | NEUTRAL | Details |
| B139417 | CHEMBL4540822 | -- | -- | 386.37 | C18H29Cl2N5 | BASE | Details |
| B139418 | CHEMBL4540905 | -- | -- | 383.39 | C22H19F2NO3 | ACID | Details |
| B139419 | CHEMBL4541043 | -- | -- | 365.48 | C22H27N3O2 | NEUTRAL | Details |
| B139420 | CHEMBL4541053 | -- | -- | 439.01 | C23H19ClN2OS2 | NEUTRAL | Details |
| B139421 | CHEMBL4541243 | -- | -- | 174.2 | C10H10N2O | BASE | Details |
| B139422 | CHEMBL4541281 | -- | -- | 464.66 | C26H28N2O2S2 | ACID | 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 |
| B139426 | CHEMBL4541536 | -- | -- | 508.42 | C21H22F6N4O4 | BASE | Details |
| B139427 | CHEMBL4541559 | -- | -- | 542.6 | C29H30N6O5 | ACID | Details |
| B139428 | CHEMBL454173 | Small molecule | ZEARALENONE | 318.37 | C18H22O5 | NEUTRAL | Details |
| B139429 | CHEMBL4542005 | -- | -- | 250.29 | C14H18O4 | NEUTRAL | Details |
| B139430 | CHEMBL4542036 | -- | -- | 109.13 | C5H7N3 | BASE | Details |
| B139431 | CHEMBL4542058 | -- | -- | 467.33 | C20H16Cl2N2O5S | ACID | Details |
| B139432 | CHEMBL4542269 | -- | -- | 877.11 | C40H72N14O8 | ZWITTERION | Details |
| B139433 | CHEMBL4542410 | -- | -- | 379.46 | C22H25N3O3 | ACID | Details |
| B139434 | CHEMBL4542440 | -- | -- | 367.38 | C19H18FN5O2 | NEUTRAL | Details |
| B139435 | CHEMBL4542497 | -- | -- | 371.74 | C17H13ClF3NO3 | NEUTRAL | Details |
| B139436 | CHEMBL454253 | Small molecule | -- | 589.85 | C31H51N5O4S | BASE | Details |
| B139437 | CHEMBL4542709 | -- | -- | 912.06 | C42H65N13O10 | ZWITTERION | Details |
| B139438 | CHEMBL45428 | Small molecule | -- | 215.89 | C6H2Cl4 | None | Details |
| B139439 | CHEMBL4542891 | -- | -- | 584.72 | C34H40N4O5 | ACID | Details |
| B139440 | CHEMBL4543016 | -- | -- | 444.3 | C21H19BrFN3O2 | NEUTRAL | Details |
| B139441 | CHEMBL4543215 | -- | -- | 376.89 | C19H25ClN4O2 | NEUTRAL | Details |
| B139442 | CHEMBL4543257 | -- | -- | 369.85 | C20H20ClN3O2 | ACID | Details |
| B139443 | CHEMBL4543285 | -- | -- | 472.27 | C18H19Cl2F4N3O3 | BASE | Details |
| B139444 | CHEMBL4543372 | -- | -- | 449.55 | C26H31N3O4 | NEUTRAL | Details |
| B139445 | CHEMBL4543532 | -- | -- | 545.65 | C28H33F2N3O4S | ACID | Details |
| B139446 | CHEMBL454366 | Small molecule | -- | 392.43 | C23H21FN2O3 | NEUTRAL | Details |
| B139447 | CHEMBL454367 | Small molecule | -- | 406.46 | C24H23FN2O3 | NEUTRAL | Details |
| B139448 | CHEMBL4543860 | -- | -- | 948.05 | C44H61N13O11 | ZWITTERION | Details |
| B139449 | CHEMBL4543885 | -- | -- | 417.31 | C18H18Cl2O5S | NEUTRAL | Details |
| B139450 | CHEMBL4543922 | -- | -- | 227.65 | C10H10ClNO3 | NEUTRAL | Details |
| B139451 | CHEMBL454394 | Small molecule | -- | 362.47 | C21H30O5 | NEUTRAL | Details |
| B139452 | CHEMBL4544228 | -- | -- | 869.04 | C40H64N14O8 | BASE | Details |
| B139453 | CHEMBL4544234 | -- | -- | 414.89 | C21H23ClN4O3 | NEUTRAL | Details |
| B139454 | CHEMBL4544308 | -- | -- | 791.91 | C34H57N13O9 | ZWITTERION | Details |
| B139455 | CHEMBL4544366 | -- | -- | 528.97 | C29H22ClFN4O3 | ACID | Details |
| B139456 | CHEMBL4544504 | -- | -- | 396.68 | C15H15BrClN5O | NEUTRAL | Details |
| B139457 | CHEMBL4544745 | -- | -- | 607.56 | C32H25F4N3O5 | ACID | Details |
| B139458 | CHEMBL4544793 | -- | -- | 478.45 | C18H21F3N4O6S | NEUTRAL | Details |
| B139459 | CHEMBL4544902 | -- | -- | 962.51 | C42H64ClN13O11 | ZWITTERION | Details |
| B139460 | CHEMBL454493 | Small molecule | -- | 630.9 | C33H54N6O4S | BASE | Details |
| B139461 | CHEMBL4544934 | -- | -- | 432.48 | C23H24N6O3 | NEUTRAL | Details |
| B139462 | CHEMBL454508 | Small molecule | -- | 549.67 | C35H35NO5 | ACID | Details |
| B139463 | CHEMBL454511 | Small molecule | TRIPHENYL PHOSPHATE | 326.29 | C18H15O4P | None | Details |
| B139464 | CHEMBL4545153 | -- | -- | 969.12 | C43H68N16O10 | ZWITTERION | Details |
| B139465 | CHEMBL4545223 | -- | -- | 657.73 | C38H38F3N3O4 | ACID | Details |
| B139466 | CHEMBL4545240 | -- | -- | 476.95 | C24H22ClFO5S | NEUTRAL | Details |
| B139467 | CHEMBL4545333 | -- | -- | 351.8 | C18H14ClN5O | NEUTRAL | Details |
| B139468 | CHEMBL4545366 | -- | -- | 321.38 | C20H19NO3 | NEUTRAL | Details |
| B139469 | CHEMBL4545372 | -- | -- | 522.45 | C22H24F6N4O4 | BASE | Details |
| B139470 | CHEMBL4545399 | -- | -- | 940.12 | C44H69N13O10 | ZWITTERION | Details |
| B139471 | CHEMBL4545456 | -- | -- | 462.58 | C25H31FN8 | NEUTRAL | Details |
| B139472 | CHEMBL4545533 | -- | -- | 426.52 | C17H15FN2O4S3 | NEUTRAL | Details |
| B139473 | CHEMBL4545570 | -- | -- | 444.41 | C19H23F3N4O5 | NEUTRAL | Details |
| B139474 | CHEMBL4545670 | -- | -- | 615.53 | C28H27F6N3O6 | NEUTRAL | Details |
| B139475 | CHEMBL4545684 | -- | -- | 532.96 | C28H22ClFN4O4 | ACID | Details |
| B139476 | CHEMBL454580 | Small molecule | GARCINONE E | 464.56 | C28H32O6 | NEUTRAL | Details |
| B139477 | CHEMBL4546054 | -- | -- | 605.59 | C33H27F4N3O4 | ACID | Details |
| B139478 | CHEMBL4546058 | -- | -- | 162.19 | C9H10N2O | BASE | Details |
| B139479 | CHEMBL4546069 | -- | -- | 554.65 | C31H34N6O4 | ACID | Details |
| B139480 | CHEMBL4546094 | -- | -- | 264.32 | C15H20O4 | NEUTRAL | Details |
| B139481 | CHEMBL4546162 | -- | -- | 940.12 | C44H69N13O10 | ZWITTERION | Details |
| B139482 | CHEMBL4546171 | -- | -- | 421.89 | C22H20ClN5O2 | NEUTRAL | Details |
| B139483 | CHEMBL4546295 | -- | -- | 598.66 | C33H37F3N2O5 | ZWITTERION | Details |
| B139484 | CHEMBL4546437 | -- | -- | 530.63 | C30H34N4O5 | ACID | Details |
| B139485 | CHEMBL454651 | Small molecule | -- | 449.55 | C26H31N3O4 | ACID | Details |
| B139486 | CHEMBL4546635 | -- | -- | 437.85 | C20H19ClF3N5O | NEUTRAL | Details |
| B139487 | CHEMBL454678 | Small molecule | -- | 463.58 | C27H33N3O4 | ACID | Details |
| B139488 | CHEMBL4546798 | -- | -- | 483.49 | C22H24Cl2N2O2S2 | ACID | Details |
| B139489 | CHEMBL4546799 | -- | -- | 928.06 | C42H65N13O11 | ZWITTERION | Details |
| B139490 | CHEMBL4546802 | -- | BAY-4900 | 437.24 | C18H12Cl2F2N6O | NEUTRAL | Details |
| B139491 | CHEMBL454691 | Small molecule | -- | 337.83 | C15H16ClN3O2S | ACID | Details |
| B139492 | CHEMBL4546920 | -- | -- | 397.87 | C20H20ClN5O2 | NEUTRAL | Details |
| B139493 | CHEMBL4546958 | -- | -- | 358.41 | C20H18N6O | NEUTRAL | Details |
| B139494 | CHEMBL4547000 | -- | -- | 473.84 | C15H19Cl3N4O3S2 | NEUTRAL | Details |
| B139495 | CHEMBL4547120 | -- | -- | 533.74 | C31H39N3O3S | ACID | Details |
| B139496 | CHEMBL4547265 | -- | -- | 465.55 | C26H31N3O5 | NEUTRAL | Details |
| B139497 | CHEMBL4547381 | -- | -- | 345.83 | C17H20ClN5O | NEUTRAL | Details |
| B139498 | CHEMBL454739 | Small molecule | -- | 152.15 | C8H8O3 | NEUTRAL | Details |
| B139499 | CHEMBL4547423 | -- | -- | 950.07 | C43H63N15O10 | ZWITTERION | Details |
| B139500 | CHEMBL454746 | Small molecule | CLADRIN | 298.29 | C17H14O5 | ACID | Details |