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 | |
|---|---|---|---|---|---|---|---|
| B140401 | CHEMBL464235 | Small molecule | -- | 549.38 | C22H17F6N3O7 | ACID | Details |
| B140402 | CHEMBL4642445 | -- | -- | 570.73 | C31H46N4O6 | NEUTRAL | Details |
| B140403 | CHEMBL4642473 | -- | -- | 456.97 | C25H29ClN2O4 | NEUTRAL | Details |
| B140404 | CHEMBL4642504 | -- | -- | 404.43 | C20H20N8O2 | NEUTRAL | Details |
| B140405 | CHEMBL4642511 | -- | -- | 455.52 | C21H20F3NO3S2 | ACID | Details |
| B140406 | CHEMBL4642538 | -- | -- | 336.44 | C20H24N4O | BASE | Details |
| B140407 | CHEMBL464254 | Small molecule | -- | 533.48 | C23H27F4N3O7 | ACID | Details |
| B140408 | CHEMBL4642566 | -- | -- | 511.66 | C29H41N3O5 | ACID | Details |
| B140409 | CHEMBL4642679 | -- | -- | 600.7 | C32H32N4O6S | ACID | Details |
| B140410 | CHEMBL4642691 | -- | -- | 578.09 | C30H28ClN3O5S | ACID | Details |
| B140411 | CHEMBL4642703 | -- | -- | 636.55 | C34H32Cl2FN3O4 | ACID | Details |
| B140412 | CHEMBL4642737 | -- | -- | 576.48 | C31H27Cl2N3O4 | ACID | Details |
| B140413 | CHEMBL4642851 | -- | -- | 660.6 | C36H35Cl2N3O5 | ACID | Details |
| B140414 | CHEMBL4642949 | -- | -- | 481.37 | C23H17BrN2O3S | NEUTRAL | Details |
| B140415 | CHEMBL4643030 | -- | -- | 536.42 | C28H23Cl2N3O4 | ACID | Details |
| B140416 | CHEMBL4643139 | -- | -- | 343.47 | C21H29NO3 | ACID | Details |
| B140417 | CHEMBL4643151 | -- | -- | 480.91 | C24H24ClF3N2O3 | ACID | Details |
| B140418 | CHEMBL4643260 | -- | -- | 359.55 | C23H37NO2 | NEUTRAL | Details |
| B140419 | CHEMBL4643368 | -- | -- | 373.58 | C24H39NO2 | NEUTRAL | Details |
| B140420 | CHEMBL4643484 | -- | -- | 292.42 | C18H28O3 | NEUTRAL | Details |
| B140421 | CHEMBL4643502 | -- | -- | 336.44 | C20H24N4O | BASE | Details |
| B140422 | CHEMBL4643503 | -- | -- | 570.86 | C28H22Cl3N3O4 | ACID | Details |
| B140423 | CHEMBL4643557 | -- | -- | 365.41 | C19H15N3O3S | NEUTRAL | Details |
| B140424 | CHEMBL4643562 | -- | -- | 354.38 | C20H19FN2O3 | NEUTRAL | Details |
| B140425 | CHEMBL4643577 | -- | -- | 341.38 | C16H19N7O2 | NEUTRAL | Details |
| B140426 | CHEMBL4643747 | -- | -- | 384.46 | C23H16N2O2S | NEUTRAL | Details |
| B140427 | CHEMBL4643748 | -- | -- | 459.59 | C28H33N3O3 | NEUTRAL | Details |
| B140428 | CHEMBL4643765 | -- | -- | 384.46 | C23H16N2O2S | NEUTRAL | Details |
| B140429 | CHEMBL4643789 | -- | -- | 576.71 | C33H41FN4O4 | NEUTRAL | Details |
| B140430 | CHEMBL4643852 | -- | BAY-6672 | 544.88 | C26H27BrClN3O3 | ACID | Details |
| B140431 | CHEMBL4643995 | -- | -- | 471.55 | C29H29NO5 | ACID | Details |
| B140432 | CHEMBL4644110 | -- | -- | 276.38 | C17H24O3 | NEUTRAL | Details |
| B140433 | CHEMBL4644306 | -- | -- | 401.64 | C26H43NO2 | NEUTRAL | Details |
| B140434 | CHEMBL464449 | Small molecule | NELUMOL A | 346.47 | C21H30O4 | NEUTRAL | Details |
| B140435 | CHEMBL464453 | Small molecule | TIROTUNDIN | 352.43 | C19H28O6 | NEUTRAL | Details |
| B140436 | CHEMBL4644536 | -- | -- | 298.37 | C16H14N2O2S | NEUTRAL | Details |
| B140437 | CHEMBL4644539 | -- | -- | 418.49 | C25H26N2O4 | NEUTRAL | Details |
| B140438 | CHEMBL464466 | Small molecule | ARJUNOLIC ACID | 488.71 | C30H48O5 | ACID | Details |
| B140439 | CHEMBL464467 | Small molecule | TEFERIN | 388.5 | C23H32O5 | NEUTRAL | Details |
| B140440 | CHEMBL4644710 | -- | -- | 416.46 | C23H16N2O4S | NEUTRAL | Details |
| B140441 | CHEMBL4644715 | -- | -- | 522.65 | C29H38N4O5 | NEUTRAL | Details |
| B140442 | CHEMBL4644726 | -- | -- | 557.67 | C31H31N3O5S | ACID | Details |
| B140443 | CHEMBL4644760 | -- | -- | 449.68 | C30H43NO2 | NEUTRAL | Details |
| B140444 | CHEMBL4644803 | -- | -- | 524.71 | C30H44N4O4 | NEUTRAL | Details |
| B140445 | CHEMBL4644859 | -- | -- | 630.5 | C34H26Cl2FN3O4 | ACID | Details |
| B140446 | CHEMBL46449 | Small molecule | -- | 207.28 | C15H13N | BASE | Details |
| B140447 | CHEMBL4644943 | -- | -- | 511.59 | C28H27F2NO4S | ACID | Details |
| B140448 | CHEMBL4645080 | -- | -- | 400.65 | C27H44O2 | NEUTRAL | Details |
| B140449 | CHEMBL4645087 | -- | -- | 532.55 | C21H36N6O10 | ACID | Details |
| B140450 | CHEMBL4645090 | -- | -- | 399.62 | C26H41NO2 | NEUTRAL | Details |
| B140451 | CHEMBL4645101 | -- | -- | 601.66 | C24H43N9O9 | ZWITTERION | Details |
| B140452 | CHEMBL4645132 | -- | -- | 260.38 | C17H24O2 | NEUTRAL | Details |
| B140453 | CHEMBL4645413 | -- | -- | 520.03 | C30H30ClNO5 | ACID | Details |
| B140454 | CHEMBL464552 | Small molecule | -- | 532.58 | C27H29FN8O3 | NEUTRAL | Details |
| B140455 | CHEMBL4645537 | -- | -- | 491.97 | C28H26ClNO5 | ACID | Details |
| B140456 | CHEMBL4645745 | -- | -- | 429.47 | C26H23NO5 | ACID | Details |
| B140457 | CHEMBL4645777 | -- | -- | 442.5 | C25H18N2O4S | NEUTRAL | Details |
| B140458 | CHEMBL4645790 | -- | -- | 542.72 | C30H46N4O5 | NEUTRAL | Details |
| B140459 | CHEMBL4645818 | -- | -- | 3020.3 | C129H211N35O48 | None | Details |
| B140460 | CHEMBL4645882 | -- | -- | 397.46 | C20H19N3O4S | NEUTRAL | Details |
| B140461 | CHEMBL4645958 | -- | -- | 458.48 | C25H25F3N2O3 | ACID | Details |
| B140462 | CHEMBL4646085 | -- | -- | 353.39 | C17H19N7O2 | NEUTRAL | Details |
| B140463 | CHEMBL4646200 | -- | -- | 387.61 | C25H41NO2 | NEUTRAL | Details |
| B140464 | CHEMBL4646232 | -- | -- | 518.66 | C30H38N4O4 | NEUTRAL | Details |
| B140465 | CHEMBL4646264 | -- | -- | 385.59 | C25H39NO2 | NEUTRAL | Details |
| B140466 | CHEMBL464658 | Small molecule | GITOXIGENIN | 390.52 | C23H34O5 | NEUTRAL | Details |
| B140467 | CHEMBL4646673 | -- | -- | 332.44 | C20H28O4 | NEUTRAL | Details |
| B140468 | CHEMBL4646719 | -- | -- | 375.48 | C22H25N5O | NEUTRAL | Details |
| B140469 | CHEMBL46469 | Small molecule | ANTHRALIN | 226.23 | C14H10O3 | NEUTRAL | Details |
| B140470 | CHEMBL4646924 | -- | -- | 457.53 | C28H27NO5 | ACID | Details |
| B140471 | CHEMBL4646942 | -- | -- | 467.34 | C22H15BrN2O3S | NEUTRAL | Details |
| B140472 | CHEMBL464705 | Small molecule | NELUMAL A | 344.45 | C21H28O4 | NEUTRAL | Details |
| B140473 | CHEMBL4647065 | -- | -- | 381.44 | C19H23N7O2 | NEUTRAL | Details |
| B140474 | CHEMBL4647214 | -- | -- | 471.48 | C25H24F3N3O3 | ACID | Details |
| B140475 | CHEMBL4647235 | -- | -- | 618.56 | C34H33Cl2N3O4 | ACID | Details |
| B140476 | CHEMBL4647332 | -- | -- | 536.63 | C29H36N4O6 | NEUTRAL | Details |
| B140477 | CHEMBL4647386 | -- | -- | 375.45 | C21H17N3O2S | BASE | Details |
| B140478 | CHEMBL4647388 | -- | -- | 447.45 | C24H24F3NO4 | ACID | Details |
| B140479 | CHEMBL4647391 | -- | -- | 564.77 | C33H48N4O4 | NEUTRAL | Details |
| B140480 | CHEMBL4647486 | -- | -- | 525.69 | C30H43N3O5 | ACID | Details |
| B140481 | CHEMBL4647502 | -- | -- | 471.48 | C25H24F3N3O3 | ACID | Details |
| B140482 | CHEMBL4647531 | -- | -- | 433.51 | C25H27N3O4 | NEUTRAL | Details |
| B140483 | CHEMBL4647613 | -- | -- | 387.61 | C25H41NO2 | NEUTRAL | Details |
| B140484 | CHEMBL4647622 | -- | -- | 311.35 | C15H17N7O | NEUTRAL | Details |
| B140485 | CHEMBL4647661 | -- | -- | 556.7 | C30H44N4O6 | NEUTRAL | Details |
| B140486 | CHEMBL4647755 | -- | -- | 616.48 | C33H24Cl2FN3O4 | ACID | Details |
| B140487 | CHEMBL4647813 | -- | -- | 443.54 | C24H33N3O5 | ACID | Details |
| B140488 | CHEMBL4647818 | -- | -- | 407.56 | C25H33N3O2 | BASE | Details |
| B140489 | CHEMBL4647853 | -- | -- | 554.73 | C31H46N4O5 | NEUTRAL | Details |
| B140490 | CHEMBL4647869 | -- | -- | 278.39 | C17H26O3 | NEUTRAL | Details |
| B140491 | CHEMBL4647910 | -- | -- | 550.74 | C32H46N4O4 | NEUTRAL | Details |
| B140492 | CHEMBL4647996 | -- | -- | 556.75 | C31H48N4O5 | NEUTRAL | Details |
| B140493 | CHEMBL464812 | Small molecule | HYDRAMETHYLNON | 494.48 | C25H24F6N4 | NEUTRAL | Details |
| B140494 | CHEMBL4648170 | -- | -- | 341.37 | C21H15N3O2 | NEUTRAL | Details |
| B140495 | CHEMBL4648290 | -- | -- | 414.72 | C29H50O | NEUTRAL | Details |
| B140496 | CHEMBL4648303 | -- | -- | 578.5 | C31H29Cl2N3O4 | ACID | Details |
| B140497 | CHEMBL4648314 | -- | -- | 395.48 | C21H21N3O3S | NEUTRAL | Details |
| B140498 | CHEMBL4648340 | -- | -- | 1159.28 | C61H71FN8O14 | None | Details |
| B140499 | CHEMBL4648362 | -- | GSK789 | 463.58 | C26H33N5O3 | NEUTRAL | Details |
| B140500 | CHEMBL4648521 | -- | -- | 329.34 | C15H11N3O4S | NEUTRAL | Details |