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 | |
|---|---|---|---|---|---|---|---|
| B139501 | CHEMBL4547480 | -- | -- | 597.71 | C34H32FN3O4S | ACID | Details |
| B139502 | CHEMBL4547547 | -- | -- | 351.41 | C20H21N3O3 | ACID | Details |
| B139503 | CHEMBL4547735 | -- | -- | 341.79 | C19H16ClNO3 | NEUTRAL | Details |
| B139504 | CHEMBL4547897 | -- | -- | 362.38 | C18H22N2O6 | NEUTRAL | Details |
| B139505 | CHEMBL4547975 | -- | -- | 397.86 | C21H20ClN3O3 | NEUTRAL | Details |
| B139506 | CHEMBL4548022 | -- | -- | 148.16 | C8H8N2O | NEUTRAL | Details |
| B139507 | CHEMBL4548107 | -- | -- | 315.76 | C15H14ClN5O | NEUTRAL | Details |
| B139508 | CHEMBL4548257 | -- | -- | 262.35 | C16H22O3 | NEUTRAL | Details |
| B139509 | CHEMBL4548269 | -- | -- | 421.24 | C17H16IN3O2 | ACID | Details |
| B139510 | CHEMBL4548362 | -- | -- | 391.43 | C22H21N3O4 | NEUTRAL | Details |
| B139511 | CHEMBL4548396 | -- | -- | 352.23 | C15H15Cl2N5O | NEUTRAL | Details |
| B139512 | CHEMBL454841 | Small molecule | -- | 593.6 | C33H38Cl2N4O2 | BASE | Details |
| B139513 | CHEMBL454843 | Small molecule | CANDIDIN | 334.37 | C21H18O4 | NEUTRAL | Details |
| B139514 | CHEMBL4548480 | -- | -- | 449.04 | C22H25ClN2O2S2 | ACID | Details |
| B139515 | CHEMBL4548486 | -- | -- | 394.78 | C15H18ClF3N4O3 | BASE | Details |
| B139516 | CHEMBL4548488 | -- | -- | 602.49 | C21H16F6N2O8S2 | ACID | Details |
| B139517 | CHEMBL4548492 | -- | -- | 420.47 | C22H24N6O3 | NEUTRAL | Details |
| B139518 | CHEMBL4548580 | -- | -- | 547.73 | C29H37N7O2S | NEUTRAL | Details |
| B139519 | CHEMBL4548731 | -- | -- | 516.47 | C21H23Cl2N3O4S2 | NEUTRAL | Details |
| B139520 | CHEMBL4548778 | -- | -- | 410.95 | C21H15ClN2OS2 | NEUTRAL | Details |
| B139521 | CHEMBL4548873 | -- | -- | 204.23 | C11H12N2O2 | BASE | Details |
| B139522 | CHEMBL4548975 | -- | -- | 357.36 | C15H14F3N3O2S | ACID | Details |
| B139523 | CHEMBL4548981 | -- | -- | 192.29 | C10H12N2S | BASE | Details |
| B139524 | CHEMBL4549214 | -- | -- | 413.95 | C17H20ClN3O3S2 | NEUTRAL | Details |
| B139525 | CHEMBL4549250 | -- | -- | 427.89 | C22H22ClN3O4 | NEUTRAL | Details |
| B139526 | CHEMBL4549270 | -- | -- | 383.88 | C20H22ClN5O | NEUTRAL | Details |
| B139527 | CHEMBL4549305 | -- | -- | 451.83 | C21H17ClF3N3O3 | NEUTRAL | Details |
| B139528 | CHEMBL4549332 | -- | -- | 391.86 | C22H18ClN3O2 | ACID | Details |
| B139529 | CHEMBL4549405 | -- | -- | 960.11 | C46H65N13O10 | ZWITTERION | Details |
| B139530 | CHEMBL4549625 | -- | -- | 447.37 | C17H16Cl2N2O4S2 | ACID | Details |
| B139531 | CHEMBL4549658 | -- | -- | 356.35 | C16H19F3N4O2 | ACID | Details |
| B139532 | CHEMBL4549663 | -- | -- | 250.34 | C15H22O3 | NEUTRAL | Details |
| B139533 | CHEMBL4549667 | -- | TP-030-2 | 481.35 | C23H21BrN4O3 | NEUTRAL | Details |
| B139534 | CHEMBL4549837 | -- | -- | 359.86 | C18H22ClN5O | NEUTRAL | Details |
| B139535 | CHEMBL4549922 | -- | -- | 635.61 | C34H29F4N3O5 | ACID | Details |
| B139536 | CHEMBL4549928 | -- | -- | 4714.28 | C208H319N53O68S2 | None | Details |
| B139537 | CHEMBL4549997 | -- | -- | 408.98 | C19H21ClN2O2S2 | NEUTRAL | Details |
| B139538 | CHEMBL4550042 | -- | -- | 408.53 | C17H16N2O4S3 | NEUTRAL | Details |
| B139539 | CHEMBL4550307 | -- | -- | 456.44 | C20H16N4O7S | ACID | Details |
| B139540 | CHEMBL4550404 | -- | -- | 400.36 | C17H19F3N4O4 | NEUTRAL | Details |
| B139541 | CHEMBL4550448 | -- | -- | 473.31 | C22H20INO3 | ACID | Details |
| B139542 | CHEMBL4550547 | -- | -- | 446.53 | C25H22N2O4S | NEUTRAL | Details |
| B139543 | CHEMBL4550568 | -- | -- | 582.55 | C31H26F4N2O5 | ACID | Details |
| B139544 | CHEMBL4550608 | -- | -- | 540.62 | C30H32N6O4 | ACID | Details |
| B139545 | CHEMBL4550673 | -- | -- | 296.75 | C14H17ClN2O3 | NEUTRAL | Details |
| B139546 | CHEMBL455073 | Small molecule | -- | 570.74 | C34H45F3N2O2 | ZWITTERION | Details |
| B139547 | CHEMBL4550754 | -- | -- | 453.97 | C21H25ClFN3O3S | BASE | Details |
| B139548 | CHEMBL4550831 | -- | -- | 472.85 | C24H16ClF3N2O3 | ACID | Details |
| B139549 | CHEMBL4550837 | -- | -- | 410.87 | C20H19ClN6O2 | NEUTRAL | Details |
| B139550 | CHEMBL4550997 | -- | -- | 269.3 | C13H19NO5 | NEUTRAL | Details |
| B139551 | CHEMBL4551082 | -- | -- | 340.86 | C14H13ClN2O2S2 | NEUTRAL | Details |
| B139552 | CHEMBL4551127 | -- | -- | 355.42 | C19H17NO4S | ACID | Details |
| B139553 | CHEMBL455126 | Small molecule | -- | 444.49 | C26H24N2O5 | ACID | Details |
| B139554 | CHEMBL455127 | Small molecule | -- | 462.48 | C26H23FN2O5 | ACID | Details |
| B139555 | CHEMBL4551282 | -- | -- | 337.38 | C18H19N5O2 | NEUTRAL | Details |
| B139556 | CHEMBL455130 | Small molecule | -- | 454.89 | C24H20ClFN2O4 | ACID | Details |
| B139557 | CHEMBL4551317 | -- | -- | 2270.71 | C120H156N24O21 | None | Details |
| B139558 | CHEMBL4551330 | -- | -- | 321.42 | C18H27NO4 | ACID | Details |
| B139559 | CHEMBL4551334 | -- | -- | 448.36 | C24H22BrN3O | NEUTRAL | Details |
| B139560 | CHEMBL4551344 | -- | A-1210227 | 904.37 | C44H41ClF3N7O7S | ACID | Details |
| B139561 | CHEMBL4551431 | -- | -- | 932.05 | C44H61N13O10 | ZWITTERION | Details |
| B139562 | CHEMBL4551478 | -- | -- | 282.73 | C13H15ClN2O3 | NEUTRAL | Details |
| B139563 | CHEMBL4551492 | -- | -- | 454.97 | C22H27ClO6S | NEUTRAL | Details |
| B139564 | CHEMBL4551493 | -- | -- | 373.48 | C22H19N3OS | BASE | Details |
| B139565 | CHEMBL4551559 | -- | -- | 354.45 | C18H30N2O5 | NEUTRAL | Details |
| B139566 | CHEMBL455157 | Small molecule | -- | 449.55 | C26H31N3O4 | ACID | Details |
| B139567 | CHEMBL455158 | Small molecule | -- | 463.58 | C27H33N3O4 | ACID | Details |
| B139568 | CHEMBL4551635 | -- | BAY-069 | 446.81 | C22H14ClF3N2O3 | NEUTRAL | Details |
| B139569 | CHEMBL4551649 | -- | -- | 453.97 | C25H28ClN3O3 | NEUTRAL | Details |
| B139570 | CHEMBL4551742 | -- | -- | 585.74 | C33H47NO8 | NEUTRAL | Details |
| B139571 | CHEMBL4551789 | -- | -- | 240.33 | C14H12N2S | BASE | Details |
| B139572 | CHEMBL4551841 | -- | -- | 468.86 | C17H20Cl3N3O2S2 | NEUTRAL | Details |
| B139573 | CHEMBL4551842 | -- | -- | 439.94 | C24H26ClN3O3 | NEUTRAL | Details |
| B139574 | CHEMBL4551909 | -- | -- | 344.46 | C17H16N2O2S2 | NEUTRAL | Details |
| B139575 | CHEMBL4551922 | -- | -- | 377.44 | C23H23NO4 | ACID | Details |
| B139576 | CHEMBL4552111 | -- | -- | 459.39 | C18H23F6N3O4 | BASE | Details |
| B139577 | CHEMBL4552132 | -- | -- | 164.18 | C9H9FN2 | BASE | Details |
| B139578 | CHEMBL4552180 | -- | BAY-588 | 527.52 | C27H25F4N5O2 | NEUTRAL | Details |
| B139579 | CHEMBL4552317 | -- | -- | 404.9 | C24H21ClN2O2 | ACID | Details |
| B139580 | CHEMBL455235 | Small molecule | -- | 640.77 | C27H46Na2O10S2 | ACID | Details |
| B139581 | CHEMBL4552354 | -- | BI 3017 | 407.43 | C20H21N7O3 | NEUTRAL | Details |
| B139582 | CHEMBL4552362 | -- | -- | 521.9 | C15H19Cl3N4O4S3 | NEUTRAL | Details |
| B139583 | CHEMBL4552420 | -- | -- | 313.4 | C19H23NO3 | NEUTRAL | Details |
| B139584 | CHEMBL4552497 | -- | -- | 283.32 | C14H21NO5 | NEUTRAL | Details |
| B139585 | CHEMBL4552580 | -- | -- | 2150.47 | C97H156N26O29 | None | Details |
| B139586 | CHEMBL4552590 | -- | -- | 404.42 | C21H24O8 | NEUTRAL | Details |
| B139587 | CHEMBL4552697 | -- | -- | 425.53 | C18H16FNO4S3 | NEUTRAL | Details |
| B139588 | CHEMBL4552760 | -- | -- | 623.75 | C36H41N5O5 | NEUTRAL | Details |
| B139589 | CHEMBL4552884 | -- | -- | 568.18 | C31H38ClN3O3S | ACID | Details |
| B139590 | CHEMBL4552991 | -- | -- | 522.45 | C22H24F6N4O4 | BASE | Details |
| B139591 | CHEMBL4553215 | -- | -- | 357.42 | C21H19N5O | NEUTRAL | Details |
| B139592 | CHEMBL4553233 | -- | -- | 277.72 | C12H12ClN5O | NEUTRAL | Details |
| B139593 | CHEMBL4553242 | -- | -- | 399.8 | C18H17ClF3N3O2 | BASE | Details |
| B139594 | CHEMBL4553281 | -- | -- | 498.41 | C27H25Cl2NO4 | NEUTRAL | Details |
| B139595 | CHEMBL4553359 | -- | -- | 460.58 | C27H32N4O3 | NEUTRAL | Details |
| B139596 | CHEMBL4553373 | -- | -- | 253.1 | C10H9BrN2O | BASE | Details |
| B139597 | CHEMBL4553437 | -- | -- | 401.47 | C24H23N3O3 | NEUTRAL | Details |
| B139598 | CHEMBL4553475 | -- | -- | 450.93 | C23H23ClN6O2 | NEUTRAL | Details |
| B139599 | CHEMBL4553481 | -- | -- | 227.65 | C10H10ClNO3 | NEUTRAL | Details |
| B139600 | CHEMBL4553514 | -- | -- | 109.13 | C5H7N3 | NEUTRAL | Details |