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 | |
|---|---|---|---|---|---|---|---|
| B000501 | CHEMBL1082 | Small molecule | AMOXICILLIN | 365.41 | C16H19N3O5S | ACID | Details |
| B000502 | CHEMBL1082027 | Small molecule | -- | 529.42 | C22H21BrN6O3S | NEUTRAL | Details |
| B000503 | CHEMBL1082079 | Small molecule | -- | 503.49 | C27H25F4NO4 | ACID | Details |
| B000504 | CHEMBL1082089 | Small molecule | -- | 496.52 | C29H24N2O6 | ACID | Details |
| B000505 | CHEMBL1082090 | Small molecule | -- | 533.96 | C26H19ClF3NO4S | ACID | Details |
| B000506 | CHEMBL1082114 | Small molecule | -- | 529.47 | C27H22F3NO7 | ACID | Details |
| B000507 | CHEMBL1082115 | Small molecule | -- | 545.6 | C27H22F3NO4S2 | ACID | Details |
| B000508 | CHEMBL1082116 | Small molecule | -- | 446.53 | C25H22N2O4S | ACID | Details |
| B000509 | CHEMBL1082117 | Small molecule | -- | 501.42 | C24H18F3N3O6 | ACID | Details |
| B000510 | CHEMBL1082118 | Small molecule | -- | 530.46 | C26H21F3N2O7 | ACID | Details |
| B000511 | CHEMBL1082131 | Small molecule | -- | 507.63 | C27H25NO5S2 | ACID | Details |
| B000512 | CHEMBL1082137 | Small molecule | -- | 537.64 | C32H27NO5S | ACID | Details |
| B000513 | CHEMBL1082191 | Small molecule | -- | 475.56 | C25H32F3N5O | BASE | Details |
| B000514 | CHEMBL1082201 | Small molecule | -- | 469.61 | C26H36FN5O2 | BASE | Details |
| B000515 | CHEMBL1082202 | Small molecule | -- | 503.61 | C27H36F3N5O | BASE | Details |
| B000516 | CHEMBL1082416 | Small molecule | -- | 451.91 | C21H26ClN3O6 | NEUTRAL | Details |
| B000517 | CHEMBL1082417 | Small molecule | -- | 457.91 | C23H24ClN3O5 | NEUTRAL | Details |
| B000518 | CHEMBL1082422 | Small molecule | -- | 347.32 | C18H15F2NO4 | NEUTRAL | Details |
| B000519 | CHEMBL1082462 | Small molecule | DBPR-108 | 324.4 | C16H25FN4O2 | NEUTRAL | Details |
| B000520 | CHEMBL1082475 | Small molecule | -- | 468.64 | C28H40N2O4 | ACID | Details |
| B000521 | CHEMBL1082487 | Small molecule | -- | 540.75 | C30H48N6O3 | BASE | Details |
| B000522 | CHEMBL1082502 | Small molecule | -- | 435.91 | C21H26ClN3O5 | NEUTRAL | Details |
| B000523 | CHEMBL1082607 | Small molecule | SALMETEROL XINAFOATE | 603.76 | C36H45NO7 | BASE | Details |
| B000524 | CHEMBL1082723 | Small molecule | CIPARGAMIN | 390.25 | C19H14Cl2FN3O | NEUTRAL | Details |
| B000525 | CHEMBL1082759 | Small molecule | -- | 401.25 | C17H18Cl2N2O5 | NEUTRAL | Details |
| B000526 | CHEMBL1082790 | Small molecule | -- | 332.41 | C20H20N4O | NEUTRAL | Details |
| B000527 | CHEMBL1082832 | Small molecule | -- | 356.3 | C16H15F3N2O4 | NEUTRAL | Details |
| B000528 | CHEMBL1082892 | Small molecule | -- | 372.46 | C22H28O5 | NEUTRAL | Details |
| B000529 | CHEMBL1083079 | Small molecule | -- | 394.86 | C19H23ClN2O5 | NEUTRAL | Details |
| B000530 | CHEMBL1083110 | Small molecule | -- | 490.6 | C29H34N2O5 | ACID | Details |
| B000531 | CHEMBL1083126 | Small molecule | -- | 514.67 | C30H38N6O2 | BASE | Details |
| B000532 | CHEMBL1083369 | Small molecule | -- | 408.88 | C20H25ClN2O5 | NEUTRAL | Details |
| B000533 | CHEMBL1083370 | Small molecule | -- | 408.88 | C20H25ClN2O5 | NEUTRAL | Details |
| B000534 | CHEMBL1083437 | Small molecule | -- | 554.78 | C31H50N6O3 | BASE | Details |
| B000535 | CHEMBL1083499 | Small molecule | -- | 423.42 | C18H23F2N7O3 | BASE | Details |
| B000536 | CHEMBL1083671 | Small molecule | -- | 422.91 | C21H27ClN2O5 | NEUTRAL | Details |
| B000537 | CHEMBL1083673 | Small molecule | -- | 466.92 | C25H23ClN2O5 | NEUTRAL | Details |
| B000538 | CHEMBL1083674 | Small molecule | -- | 432.86 | C21H21ClN2O6 | NEUTRAL | Details |
| B000539 | CHEMBL1083690 | Small molecule | -- | 410.85 | C19H23ClN2O6 | NEUTRAL | Details |
| B000540 | CHEMBL1083698 | Small molecule | -- | 470.95 | C25H27ClN2O5 | ACID | Details |
| B000541 | CHEMBL1083834 | Small molecule | -- | 408.88 | C21H25ClO6 | NEUTRAL | Details |
| B000542 | CHEMBL1083835 | Small molecule | -- | 356.46 | C22H28O4 | NEUTRAL | Details |
| B000543 | CHEMBL1083838 | Small molecule | -- | 388.16 | C16H9IN2O2 | NEUTRAL | Details |
| B000544 | CHEMBL1083975 | Small molecule | -- | 450.9 | C19H19ClN4O5S | NEUTRAL | Details |
| B000545 | CHEMBL1083978 | Small molecule | -- | 432.86 | C21H21ClN2O6 | NEUTRAL | Details |
| B000546 | CHEMBL1083979 | Small molecule | -- | 442.9 | C23H23ClN2O5 | NEUTRAL | Details |
| B000547 | CHEMBL1083980 | Small molecule | -- | 460.89 | C23H22ClFN2O5 | NEUTRAL | Details |
| B000548 | CHEMBL1083993 | Small molecule | AMIODARONE HYDROCHLORIDE | 681.78 | C25H30ClI2NO3 | NEUTRAL | Details |
| B000549 | CHEMBL1084166 | Small molecule | -- | 448.93 | C21H21ClN2O5S | NEUTRAL | Details |
| B000550 | CHEMBL1084258 | Small molecule | -- | 486.91 | C24H23ClN2O7 | NEUTRAL | Details |
| B000551 | CHEMBL1084259 | Small molecule | -- | 500.94 | C25H25ClN2O7 | NEUTRAL | Details |
| B000552 | CHEMBL1084301 | Small molecule | -- | 400.51 | C23H20N4OS | NEUTRAL | Details |
| B000553 | CHEMBL1084319 | Small molecule | -- | 436.51 | C25H28N2O5 | ACID | Details |
| B000554 | CHEMBL1084320 | Small molecule | -- | 450.54 | C26H30N2O5 | ACID | Details |
| B000555 | CHEMBL1084321 | Small molecule | -- | 482.53 | C26H30N2O7 | ACID | Details |
| B000556 | CHEMBL1084322 | Small molecule | -- | 452.51 | C25H28N2O6 | ACID | Details |
| B000557 | CHEMBL108436 | Small molecule | NONANOATE | 158.24 | C9H18O2 | ACID | Details |
| B000558 | CHEMBL1084440 | Small molecule | -- | 448.93 | C21H21ClN2O5S | NEUTRAL | Details |
| B000559 | CHEMBL1084441 | Small molecule | -- | 323.37 | C20H18FNO2 | NEUTRAL | Details |
| B000560 | CHEMBL1084546 | Small molecule | PF-00562271 | 507.5 | C21H20F3N7O3S | NEUTRAL | Details |
| B000561 | CHEMBL1084547 | Small molecule | -- | 458.46 | C24H24F2N2O5 | ACID | Details |
| B000562 | CHEMBL1084548 | Small molecule | -- | 423.47 | C23H25N3O5 | ACID | Details |
| B000563 | CHEMBL1084549 | Small molecule | -- | 436.51 | C25H28N2O5 | ACID | Details |
| B000564 | CHEMBL1084720 | Small molecule | -- | 336.21 | C14H10BrNO2S | None | Details |
| B000565 | CHEMBL1084938 | Small molecule | -- | 276.3 | C17H12N2O2 | NEUTRAL | Details |
| B000566 | CHEMBL1084939 | Small molecule | -- | 296.71 | C16H9ClN2O2 | NEUTRAL | Details |
| B000567 | CHEMBL1085015 | Small molecule | -- | 462.96 | C22H23ClN2O5S | NEUTRAL | Details |
| B000568 | CHEMBL108505 | Small molecule | DIHYDROBETULINIC ACID | 458.73 | C30H50O3 | ACID | Details |
| B000569 | CHEMBL1085062 | Small molecule | -- | 466.6 | C26H30N2O4S | ACID | Details |
| B000570 | CHEMBL1085065 | Small molecule | -- | 314.41 | C18H18O3S | ACID | Details |
| B000571 | CHEMBL108507 | Small molecule | -- | 477.3 | C19H22Cl2N2O8 | ACID | Details |
| B000572 | CHEMBL1085188 | Small molecule | -- | 402.49 | C23H30O6 | NEUTRAL | Details |
| B000573 | CHEMBL1085189 | Small molecule | -- | 356.46 | C22H28O4 | NEUTRAL | Details |
| B000574 | CHEMBL1085217 | Small molecule | -- | 654.86 | C37H50N8O3 | BASE | Details |
| B000575 | CHEMBL1085218 | Small molecule | -- | 560.74 | C32H44N6O3 | BASE | Details |
| B000576 | CHEMBL1085219 | Small molecule | -- | 631.82 | C35H49N7O4 | BASE | Details |
| B000577 | CHEMBL1085220 | Small molecule | -- | 651.88 | C34H49N7O4S | BASE | Details |
| B000578 | CHEMBL1085221 | Small molecule | -- | 630.84 | C35H50N8O3 | BASE | Details |
| B000579 | CHEMBL1085222 | Small molecule | -- | 602.82 | C35H50N6O3 | BASE | Details |
| B000580 | CHEMBL1085223 | Small molecule | -- | 616.85 | C36H52N6O3 | BASE | Details |
| B000581 | CHEMBL1085224 | Small molecule | -- | 588.8 | C34H48N6O3 | BASE | Details |
| B000582 | CHEMBL1085225 | Small molecule | -- | 598.79 | C35H46N6O3 | BASE | Details |
| B000583 | CHEMBL1085226 | Small molecule | -- | 588.8 | C34H48N6O3 | BASE | Details |
| B000584 | CHEMBL1085228 | Small molecule | -- | 574.77 | C33H46N6O3 | BASE | Details |
| B000585 | CHEMBL1085229 | Small molecule | -- | 574.77 | C33H46N6O3 | BASE | Details |
| B000586 | CHEMBL1085230 | Small molecule | -- | 574.77 | C33H46N6O3 | BASE | Details |
| B000587 | CHEMBL1085231 | Small molecule | -- | 584.76 | C34H44N6O3 | BASE | Details |
| B000588 | CHEMBL1085232 | Small molecule | -- | 612.82 | C36H48N6O3 | BASE | Details |
| B000589 | CHEMBL1085271 | Small molecule | -- | 472.93 | C24H25ClN2O6 | NEUTRAL | Details |
| B000590 | CHEMBL1085272 | Small molecule | -- | 443.89 | C22H22ClN3O5 | NEUTRAL | Details |
| B000591 | CHEMBL1085273 | Small molecule | -- | 447.88 | C21H22ClN3O6 | NEUTRAL | Details |
| B000592 | CHEMBL1085297 | Small molecule | -- | 424.88 | C20H25ClN2O6 | NEUTRAL | Details |
| B000593 | CHEMBL108545 | Small molecule | METHYL SALICYLATE | 152.15 | C8H8O3 | NEUTRAL | Details |
| B000594 | CHEMBL1085454 | Small molecule | -- | 372.46 | C22H28O5 | NEUTRAL | Details |
| B000595 | CHEMBL1085455 | Small molecule | -- | 408.88 | C21H25ClO6 | NEUTRAL | Details |
| B000596 | CHEMBL1085528 | Small molecule | -- | 422.91 | C21H27ClN2O5 | NEUTRAL | Details |
| B000597 | CHEMBL1085529 | Small molecule | -- | 436.94 | C22H29ClN2O5 | NEUTRAL | Details |
| B000598 | CHEMBL1085544 | Small molecule | -- | 424.88 | C20H25ClN2O6 | NEUTRAL | Details |
| B000599 | CHEMBL1085545 | Small molecule | -- | 438.91 | C21H27ClN2O6 | NEUTRAL | Details |
| B000600 | CHEMBL1085546 | Small molecule | -- | 438.91 | C21H27ClN2O6 | NEUTRAL | Details |