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 | |
|---|---|---|---|---|---|---|---|
| B138501 | CHEMBL4455235 | -- | -- | 551.05 | C32H27ClN4O3 | NEUTRAL | Details |
| B138502 | CHEMBL4455357 | -- | TP-020 | 654.02 | C27H21ClF5N7O3S | NEUTRAL | Details |
| B138503 | CHEMBL4455414 | -- | -- | 349.39 | C19H19N5O2 | NEUTRAL | Details |
| B138504 | CHEMBL4455475 | -- | -- | 498.41 | C27H25Cl2NO4 | NEUTRAL | Details |
| B138505 | CHEMBL4455512 | -- | -- | 315.31 | C14H9N3O4S | NEUTRAL | Details |
| B138506 | CHEMBL4455520 | -- | -- | 565.46 | C24H18F7NO5S | NEUTRAL | Details |
| B138507 | CHEMBL4455529 | -- | -- | 381.86 | C22H20ClNO3 | ACID | Details |
| B138508 | CHEMBL4455553 | -- | -- | 414.89 | C22H23ClN2O4 | NEUTRAL | Details |
| B138509 | CHEMBL4455560 | -- | -- | 383.39 | C22H19F2NO3 | ACID | Details |
| B138510 | CHEMBL4455567 | -- | -- | 439.95 | C23H26ClN5O2 | NEUTRAL | Details |
| B138511 | CHEMBL4455582 | -- | BAY-693 | 529.57 | C26H30F3N7O2 | NEUTRAL | Details |
| B138512 | CHEMBL4455595 | -- | -- | 559.65 | C30H39F2N3O5 | NEUTRAL | Details |
| B138513 | CHEMBL4455702 | -- | -- | 447.84 | C19H21ClF3N3O4 | BASE | Details |
| B138514 | CHEMBL4455789 | -- | -- | 360.8 | C18H17ClN2O4 | NEUTRAL | Details |
| B138515 | CHEMBL4455828 | -- | -- | 927.04 | C49H59FN6O11 | NEUTRAL | Details |
| B138516 | CHEMBL4455833 | -- | -- | 333.24 | C13H11F4N3O3 | NEUTRAL | Details |
| B138517 | CHEMBL4455901 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138518 | CHEMBL4455911 | -- | -- | 526.42 | C28H25Cl2NO5 | NEUTRAL | Details |
| B138519 | CHEMBL4455923 | -- | -- | 575.63 | C31H29N9O3 | NEUTRAL | Details |
| B138520 | CHEMBL4456029 | -- | -- | 405.46 | C22H23N5O3 | NEUTRAL | Details |
| B138521 | CHEMBL4456063 | -- | -- | 495.48 | C18H20Cl2N2O4S3 | NEUTRAL | Details |
| B138522 | CHEMBL445608 | Small molecule | -- | 746.6 | C34H37Cl2N5O10 | ACID | Details |
| B138523 | CHEMBL4456123 | Small molecule | BI 639667 | 451.48 | C22H18FN5O3S | NEUTRAL | Details |
| B138524 | CHEMBL4456211 | -- | -- | 260.38 | C10H16N2O2S2 | NEUTRAL | Details |
| B138525 | CHEMBL4456390 | -- | -- | 388.53 | C15H18N2O4S3 | NEUTRAL | Details |
| B138526 | CHEMBL4456431 | -- | -- | 464.93 | C25H22ClFN4O2 | NEUTRAL | Details |
| B138527 | CHEMBL4456445 | -- | -- | 391.32 | C19H13F4N3O2 | NEUTRAL | Details |
| B138528 | CHEMBL4456483 | -- | -- | 485.42 | C20H22F3N5O6 | NEUTRAL | Details |
| B138529 | CHEMBL4456519 | -- | -- | 523.7 | C29H37N3O4S | ACID | Details |
| B138530 | CHEMBL4456544 | -- | -- | 547.77 | C32H41N3O3S | ACID | Details |
| B138531 | CHEMBL4456556 | -- | -- | 522.4 | C21H20F6N4O5 | BASE | Details |
| B138532 | CHEMBL4456624 | -- | -- | 355.83 | C19H18ClN3O2 | ACID | Details |
| B138533 | CHEMBL4456627 | -- | -- | 455.84 | C21H18ClF4N3O2 | BASE | Details |
| B138534 | CHEMBL4456647 | -- | -- | 556.66 | C32H36N4O5 | ACID | Details |
| B138535 | CHEMBL4456682 | -- | -- | 304.4 | C14H12N2O2S2 | NEUTRAL | Details |
| B138536 | CHEMBL4456722 | -- | -- | 472.55 | C25H28N8O2 | BASE | Details |
| B138537 | CHEMBL4456767 | -- | -- | 286.33 | C16H18N2O3 | NEUTRAL | Details |
| B138538 | CHEMBL4456812 | -- | -- | 395.43 | C22H22FN3O3 | NEUTRAL | Details |
| B138539 | CHEMBL4456821 | -- | -- | 606.58 | C32H26F4N4O4 | ACID | Details |
| B138540 | CHEMBL4456842 | -- | -- | 423.0 | C20H23ClN2O2S2 | NEUTRAL | Details |
| B138541 | CHEMBL4456858 | -- | -- | 544.77 | C33H52O6 | NEUTRAL | Details |
| B138542 | CHEMBL4456869 | -- | -- | 391.4 | C19H15F2NO4S | ACID | Details |
| B138543 | CHEMBL4456883 | -- | -- | 440.35 | C20H19Cl2NO4S | NEUTRAL | Details |
| B138544 | CHEMBL4456906 | -- | -- | 4829.41 | C212H328N56O69S2 | None | Details |
| B138545 | CHEMBL4456957 | -- | -- | 384.47 | C23H28O5 | NEUTRAL | Details |
| B138546 | CHEMBL445696 | Small molecule | -- | 239.28 | C13H13N5 | NEUTRAL | Details |
| B138547 | CHEMBL4457006 | -- | -- | 425.58 | C28H31N3O | BASE | Details |
| B138548 | CHEMBL4457030 | -- | -- | 406.27 | C18H17Cl2N5O2 | NEUTRAL | Details |
| B138549 | CHEMBL4457080 | -- | -- | 469.0 | C23H29ClO6S | NEUTRAL | Details |
| B138550 | CHEMBL4457107 | -- | -- | 359.38 | C18H14FNO4S | ACID | Details |
| B138551 | CHEMBL4457177 | -- | -- | 486.83 | C24H14ClF3N2O4 | ACID | Details |
| B138552 | CHEMBL4457243 | -- | -- | 432.31 | C21H19Cl2N3O3 | NEUTRAL | Details |
| B138553 | CHEMBL4457392 | -- | -- | 478.44 | C18H17Cl2NO4S3 | NEUTRAL | Details |
| B138554 | CHEMBL4457403 | -- | -- | 412.25 | C18H14BrN5O2 | NEUTRAL | Details |
| B138555 | CHEMBL4457469 | -- | -- | 481.98 | C22H25ClFN3O4S | ZWITTERION | Details |
| B138556 | CHEMBL4457493 | -- | -- | 661.64 | C33H23F4N5O4S | NEUTRAL | Details |
| B138557 | CHEMBL4457517 | -- | -- | 455.31 | C18H23Cl2F3N4O2 | BASE | Details |
| B138558 | CHEMBL4457518 | -- | -- | 250.3 | C16H14N2O | BASE | Details |
| B138559 | CHEMBL4457564 | -- | -- | 669.62 | C35H29F6N3O4 | ACID | Details |
| B138560 | CHEMBL4457578 | -- | -- | 481.98 | C22H25ClFN3O4S | ZWITTERION | Details |
| B138561 | CHEMBL4457628 | -- | -- | 337.42 | C20H23N3O2 | NEUTRAL | Details |
| B138562 | CHEMBL4457629 | -- | -- | 304.4 | C14H12N2O2S2 | NEUTRAL | Details |
| B138563 | CHEMBL4457668 | -- | -- | 422.55 | C18H18N2O4S3 | NEUTRAL | Details |
| B138564 | CHEMBL4457687 | -- | -- | 378.27 | C18H20BrNO3 | NEUTRAL | Details |
| B138565 | CHEMBL4457723 | Small molecule | BMS-741672 | 542.63 | C24H33F3N6O3S | BASE | Details |
| B138566 | CHEMBL4457812 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |
| B138567 | CHEMBL4457826 | -- | -- | 248.28 | C13H16N2O3 | BASE | Details |
| B138568 | CHEMBL4457855 | -- | -- | 402.85 | C21H20ClFN2O3 | NEUTRAL | Details |
| B138569 | CHEMBL4457897 | -- | -- | 412.52 | C15H16N4O4S3 | NEUTRAL | Details |
| B138570 | CHEMBL4457957 | -- | -- | 681.87 | C38H55N3O8 | NEUTRAL | Details |
| B138571 | CHEMBL4458032 | -- | -- | 410.48 | C24H22N6O | NEUTRAL | Details |
| B138572 | CHEMBL4458082 | -- | -- | 463.55 | C28H30FNO4 | ACID | Details |
| B138573 | CHEMBL445813 | Small molecule | AT-7519 | 382.25 | C16H17Cl2N5O2 | BASE | Details |
| B138574 | CHEMBL4458145 | -- | -- | 331.44 | C12H13NO4S3 | NEUTRAL | Details |
| B138575 | CHEMBL4458208 | -- | -- | 370.26 | C15H13Cl2N3O2S | ACID | Details |
| B138576 | CHEMBL4458278 | -- | -- | 368.32 | C16H15F3N4O3 | NEUTRAL | Details |
| B138577 | CHEMBL4458295 | -- | -- | 469.1 | C18H12Br2FNO3 | NEUTRAL | Details |
| B138578 | CHEMBL445836 | Small molecule | -- | 562.78 | C32H42N4O3S | BASE | Details |
| B138579 | CHEMBL4458366 | -- | -- | 351.38 | C21H18FNO3 | ACID | Details |
| B138580 | CHEMBL4458424 | -- | BAY-899 | 459.46 | C25H19F2N5O2 | NEUTRAL | Details |
| B138581 | CHEMBL4458466 | -- | -- | 549.78 | C32H43N3O3S | ACID | Details |
| B138582 | CHEMBL4458573 | -- | -- | 330.69 | C15H10ClF3O3 | ACID | Details |
| B138583 | CHEMBL4458677 | -- | -- | 526.76 | C33H50O5 | NEUTRAL | Details |
| B138584 | CHEMBL4458683 | -- | -- | 542.15 | C29H36ClN3O3S | ACID | Details |
| B138585 | CHEMBL445870 | Small molecule | -- | 280.32 | C15H20O5 | NEUTRAL | Details |
| B138586 | CHEMBL4458846 | -- | -- | 311.35 | C16H17N5O2 | NEUTRAL | Details |
| B138587 | CHEMBL4458907 | -- | -- | 531.08 | C22H28ClFN4O4S2 | BASE | Details |
| B138588 | CHEMBL4458935 | -- | -- | 362.47 | C23H26N2O2 | NEUTRAL | Details |
| B138589 | CHEMBL4459033 | -- | -- | 327.42 | C20H25NO3 | NEUTRAL | Details |
| B138590 | CHEMBL4459048 | -- | -- | 558.87 | C23H22Cl3N3O5S | NEUTRAL | Details |
| B138591 | CHEMBL4459070 | -- | -- | 540.13 | C29H34ClN3O3S | ACID | Details |
| B138592 | CHEMBL445921 | Small molecule | -- | 555.55 | C30H28F3NO6 | ACID | Details |
| B138593 | CHEMBL4459219 | -- | -- | 397.86 | C21H20ClN3O3 | NEUTRAL | Details |
| B138594 | CHEMBL445925 | Small molecule | -- | 499.7 | C32H41N3O2 | ZWITTERION | Details |
| B138595 | CHEMBL4459253 | -- | -- | 381.44 | C23H19N5O | NEUTRAL | Details |
| B138596 | CHEMBL4459258 | -- | -- | 546.83 | C34H58O5 | NEUTRAL | Details |
| B138597 | CHEMBL4459327 | -- | -- | 371.87 | C20H22ClN3O2 | NEUTRAL | Details |
| B138598 | CHEMBL445942 | Small molecule | -- | 540.62 | C32H32N2O6 | ACID | Details |
| B138599 | CHEMBL4459471 | -- | -- | 283.75 | C14H18ClNO3 | NEUTRAL | Details |
| B138600 | CHEMBL4459475 | -- | -- | 451.88 | C22H21ClF3N3O2 | BASE | Details |