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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Mitogen-activated protein kinase kinase kinase 51174 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B139282 | CHEMBL4531775 | -- | SR-321 | 512.58 | C28H31F3N4O2 | NEUTRAL | Details |
| B139294 | CHEMBL4533018 | -- | -- | 404.94 | C21H29ClN4O2 | BASE | Details |
| B139299 | CHEMBL4533479 | -- | A-1806262 | 558.68 | C33H38N2O6 | ACID | Details |
| B139305 | CHEMBL453375 | Small molecule | -- | 332.4 | C19H24O5 | NEUTRAL | Details |
| B139309 | CHEMBL453389 | Small molecule | -- | 360.45 | C21H28O5 | NEUTRAL | Details |
| B139310 | CHEMBL4534005 | -- | GSM-NC | 496.49 | C25H23F3N6O2 | NEUTRAL | Details |
| B139333 | CHEMBL4535474 | -- | BAY-293 | 448.59 | C25H28N4O2S | BASE | Details |
| B139349 | CHEMBL4536051 | -- | -- | 429.48 | C23H23N7O2 | NEUTRAL | Details |
| B139350 | CHEMBL4536197 | -- | A-486 | 536.48 | C25H24F4N4O5 | NEUTRAL | Details |
| B139359 | CHEMBL4537058 | -- | -- | 404.52 | C18H20N4O3S2 | NEUTRAL | Details |
| B139367 | CHEMBL4537673 | -- | BAY-985 | 553.59 | C27H30F3N9O | NEUTRAL | Details |
| B139370 | CHEMBL4537756 | -- | -- | 349.39 | C19H19N5O2 | NEUTRAL | Details |
| B139372 | CHEMBL4537788 | -- | BAY-784 | 672.12 | C29H26ClF4N3O5S2 | NEUTRAL | Details |
| B139378 | CHEMBL4538174 | -- | ERKi | 311.35 | C16H17N5O2 | NEUTRAL | Details |
| B139381 | CHEMBL4538591 | -- | BAY-440 | 574.01 | C26H27ClF3N9O | NEUTRAL | Details |
| B139400 | CHEMBL4539555 | -- | BI 9307 | 546.61 | C23H23FN6O5S2 | NEUTRAL | Details |
| B139403 | CHEMBL4539943 | -- | BAY-694 | 505.57 | C28H31N3O6 | ACID | Details |
| B139416 | CHEMBL4540759 | -- | BI 0054 | 382.39 | C18H21F3N4O2 | NEUTRAL | Details |
| B139428 | CHEMBL454173 | Small molecule | ZEARALENONE | 318.37 | C18H22O5 | NEUTRAL | Details |
| B139434 | CHEMBL4542440 | -- | -- | 367.38 | C19H18FN5O2 | NEUTRAL | Details |
| B139451 | CHEMBL454394 | Small molecule | -- | 362.47 | C21H30O5 | NEUTRAL | Details |
| B139461 | CHEMBL4544934 | -- | -- | 432.48 | C23H24N6O3 | NEUTRAL | Details |
| B139471 | CHEMBL4545456 | -- | -- | 462.58 | C25H31FN8 | NEUTRAL | Details |
| B139490 | CHEMBL4546802 | -- | BAY-4900 | 437.24 | C18H12Cl2F2N6O | NEUTRAL | Details |
| B139517 | CHEMBL4548492 | -- | -- | 420.47 | C22H24N6O3 | NEUTRAL | Details |
| B139518 | CHEMBL4548580 | -- | -- | 547.73 | C29H37N7O2S | NEUTRAL | Details |
| B139533 | CHEMBL4549667 | -- | TP-030-2 | 481.35 | C23H21BrN4O3 | NEUTRAL | Details |
| B139542 | CHEMBL4550547 | -- | -- | 446.53 | C25H22N2O4S | NEUTRAL | Details |
| B139555 | CHEMBL4551282 | -- | -- | 337.38 | C18H19N5O2 | NEUTRAL | Details |
| B139560 | CHEMBL4551344 | -- | A-1210227 | 904.37 | C44H41ClF3N7O7S | ACID | Details |
| B139578 | CHEMBL4552180 | -- | BAY-588 | 527.52 | C27H25F4N5O2 | NEUTRAL | Details |
| B139581 | CHEMBL4552354 | -- | BI 3017 | 407.43 | C20H21N7O3 | NEUTRAL | Details |
| B139604 | CHEMBL4553877 | -- | -- | 410.39 | C24H14N2O5 | ACID | Details |
| B139606 | CHEMBL4554066 | -- | -- | 469.18 | C18H19Br2N3O2 | NEUTRAL | Details |
| B139617 | CHEMBL4555459 | -- | -- | 481.6 | C28H31N7O | NEUTRAL | Details |
| B139619 | CHEMBL4555782 | -- | -- | 430.47 | C22H22N8O2 | NEUTRAL | Details |
| B139641 | CHEMBL4557026 | -- | ERKi-NC | 312.33 | C15H16N6O2 | NEUTRAL | Details |
| B139645 | CHEMBL4557538 | -- | -- | 372.86 | C18H21ClN6O | NEUTRAL | Details |
| B139681 | CHEMBL4559936 | -- | -- | 613.73 | C35H35N9O2 | BASE | Details |
| B139692 | CHEMBL4560241 | -- | BI 0153 | 430.47 | C22H22N8O2 | NEUTRAL | Details |
| B139693 | CHEMBL4560589 | -- | MLi-2-NC | 393.49 | C22H27N5O2 | NEUTRAL | Details |
| B139709 | CHEMBL4561692 | -- | -- | 462.53 | C21H26N4O6S | NEUTRAL | Details |
| B139710 | CHEMBL4561768 | -- | -- | 335.37 | C18H17N5O2 | NEUTRAL | Details |
| B139712 | CHEMBL4561806 | -- | BTZO-4 | 242.3 | C13H10N2OS | NEUTRAL | Details |
| B139717 | CHEMBL4562269 | -- | -- | 367.38 | C19H18FN5O2 | NEUTRAL | Details |
| B139729 | CHEMBL4563315 | -- | -- | 325.85 | C13H12ClN3OS2 | NEUTRAL | Details |
| B139740 | CHEMBL4564126 | -- | TP-008 | 411.82 | C20H15ClFN5O2 | NEUTRAL | Details |
| B139743 | CHEMBL4564312 | -- | BAY-786 | 672.12 | C29H26ClF4N3O5S2 | NEUTRAL | Details |
| B139754 | CHEMBL4564973 | -- | -- | 544.64 | C29H33FN8O2 | NEUTRAL | Details |
| B139764 | CHEMBL4565615 | -- | -- | 349.39 | C19H19N5O2 | NEUTRAL | Details |
| B139777 | CHEMBL4566600 | -- | PPTN-NC | 489.54 | C30H26F3NO2 | ZWITTERION | Details |
| B139787 | CHEMBL4567520 | -- | PF-04875474 | 457.42 | C21H18F3N7O2 | NEUTRAL | Details |
| B139793 | CHEMBL4567815 | -- | -- | 324.41 | C17H16N4OS | NEUTRAL | Details |
| B139801 | CHEMBL4568120 | -- | -- | 388.83 | C18H13ClN2O4S | NEUTRAL | Details |
| B139805 | CHEMBL4568183 | -- | SR-301 | 673.84 | C34H43N9O4S | NEUTRAL | Details |
| B139816 | CHEMBL4568735 | -- | NVS-MALT1 | 574.03 | C24H27ClF3N5O4S | NEUTRAL | Details |
| B139823 | CHEMBL4569388 | -- | -- | 415.46 | C22H21N7O2 | NEUTRAL | Details |
| B139894 | CHEMBL4574669 | -- | -- | 395.46 | C21H25N5O3 | NEUTRAL | Details |
| B139925 | CHEMBL4576489 | -- | -- | 915.85 | C50H56BF2N7O7 | None | Details |
| B139932 | CHEMBL4577237 | -- | BI 9446 | 602.48 | C30H25Cl2N7O3 | NEUTRAL | Details |
| B139948 | CHEMBL4578164 | -- | MRL-CB1-NC | 550.85 | C24H18Cl3N3O4S | NEUTRAL | Details |
| B139977 | CHEMBL4580220 | -- | BAY-3827 | 468.54 | C27H25FN6O | NEUTRAL | Details |
| B140026 | CHEMBL4584981 | -- | NVS-MALT1-C | 574.03 | C24H27ClF3N5O4S | NEUTRAL | Details |
| B140029 | CHEMBL4585243 | -- | BAY-7598 | 505.57 | C28H31N3O6 | ACID | Details |
| B140032 | CHEMBL4585920 | -- | TP-020n | 520.95 | C22H19ClF2N6O3S | NEUTRAL | Details |
| B140038 | CHEMBL4586284 | -- | -- | 424.93 | C18H17ClN2O4S2 | NEUTRAL | Details |
| B140045 | CHEMBL4586794 | -- | ABT-100 | 504.47 | C27H19F3N4O3 | NEUTRAL | Details |
| B140077 | CHEMBL4588900 | -- | BI 1230 | 816.98 | C42H52N6O9S | ACID | Details |
| B140097 | CHEMBL4590290 | -- | -- | 353.36 | C18H16FN5O2 | NEUTRAL | Details |
| B140103 | CHEMBL4590759 | -- | -- | 414.26 | C18H16BrN5O2 | NEUTRAL | Details |
| B140106 | CHEMBL4591082 | -- | SR-302 | 622.79 | C32H42N6O5S | NEUTRAL | Details |
| B140120 | CHEMBL4591648 | -- | -- | 504.57 | C26H29FN8O2 | BASE | Details |
| B140127 | CHEMBL4592358 | -- | -- | 413.32 | C20H21BrN4O | NEUTRAL | Details |
| B140134 | CHEMBL4592872 | -- | BAY-897 | 457.48 | C27H21F2N3O2 | NEUTRAL | Details |
| B140143 | CHEMBL4593677 | -- | BAY-474 | 289.34 | C17H15N5 | NEUTRAL | Details |
| B140199 | CHEMBL460702 | Small molecule | BMS-777607 | 512.9 | C25H19ClF2N4O4 | NEUTRAL | Details |
| B140223 | CHEMBL462018 | Small molecule | TRICIRIBINE PHOSPHATE | 400.29 | C13H17N6O7P | ZWITTERION | Details |
| B140236 | CHEMBL4630641 | -- | A-769 | 339.47 | C18H21N5S | NEUTRAL | Details |
| B140237 | CHEMBL4630642 | -- | BAY-974 | 422.49 | C25H22N6O | NEUTRAL | Details |
| B140238 | CHEMBL4630643 | -- | BAY-448 | 458.46 | C19H21F3N4O4S | NEUTRAL | Details |
| B140239 | CHEMBL4630644 | -- | BAY-386 | 514.53 | C22H25F3N4O5S | NEUTRAL | Details |
| B140245 | CHEMBL4632465 | -- | -- | 340.39 | C17H20N6O2 | NEUTRAL | Details |
| B140250 | CHEMBL4632672 | -- | -- | 405.42 | C19H19N9O2 | NEUTRAL | Details |
| B140264 | CHEMBL4633993 | -- | -- | 404.43 | C20H20N8O2 | NEUTRAL | Details |
| B140273 | CHEMBL4634900 | -- | -- | 447.5 | C22H25N9O2 | NEUTRAL | Details |
| B140300 | CHEMBL4636506 | -- | -- | 404.43 | C20H20N8O2 | NEUTRAL | Details |
| B140340 | CHEMBL4638598 | -- | -- | 405.42 | C19H19N9O2 | NEUTRAL | Details |
| B140361 | CHEMBL4640063 | -- | -- | 355.4 | C17H21N7O2 | NEUTRAL | Details |
| B140373 | CHEMBL4640860 | -- | -- | 311.35 | C15H17N7O | NEUTRAL | Details |
| B140378 | CHEMBL4641264 | -- | -- | 385.43 | C18H23N7O3 | NEUTRAL | Details |
| B140388 | CHEMBL4641666 | -- | -- | 340.39 | C17H20N6O2 | NEUTRAL | Details |
| B140400 | CHEMBL4642251 | -- | -- | 444.5 | C23H24N8O2 | NEUTRAL | Details |
| B140404 | CHEMBL4642504 | -- | -- | 404.43 | C20H20N8O2 | NEUTRAL | Details |
| B140425 | CHEMBL4643577 | -- | -- | 341.38 | C16H19N7O2 | NEUTRAL | Details |
| B140454 | CHEMBL464552 | Small molecule | -- | 532.58 | C27H29FN8O3 | NEUTRAL | Details |
| B140462 | CHEMBL4646085 | -- | -- | 353.39 | C17H19N7O2 | NEUTRAL | Details |
| B140473 | CHEMBL4647065 | -- | -- | 381.44 | C19H23N7O2 | NEUTRAL | Details |
| B140484 | CHEMBL4647622 | -- | -- | 311.35 | C15H17N7O | NEUTRAL | Details |
| B140699 | CHEMBL471375 | Small molecule | -- | 274.32 | C18H14N2O | NEUTRAL | Details |
| B140727 | CHEMBL471901 | Small molecule | -- | 340.31 | C14H15F3N6O | BASE | Details |