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 | |
|---|---|---|---|---|---|---|---|
| B138401 | CHEMBL4450488 | -- | -- | 346.41 | C16H18N4O3S | NEUTRAL | Details |
| B138402 | CHEMBL4450561 | -- | -- | 422.29 | C20H21BrFNO3 | NEUTRAL | Details |
| B138403 | CHEMBL4450594 | -- | -- | 367.84 | C20H18ClN3O2 | ACID | Details |
| B138404 | CHEMBL4450704 | -- | -- | 541.69 | C31H43NO7 | NEUTRAL | Details |
| B138405 | CHEMBL445073 | Small molecule | -- | 444.46 | C18H24N2O9S | ACID | Details |
| B138406 | CHEMBL4450748 | -- | -- | 359.48 | C17H17N3O2S2 | NEUTRAL | Details |
| B138407 | CHEMBL4450766 | -- | -- | 253.35 | C11H11NO2S2 | NEUTRAL | Details |
| B138408 | CHEMBL4450797 | -- | -- | 569.55 | C31H27F4NO5 | ACID | Details |
| B138409 | CHEMBL4450831 | -- | -- | 417.82 | C18H19ClF3N3O3 | BASE | Details |
| B138410 | CHEMBL4450939 | -- | -- | 376.84 | C14H18ClFN4O3S | BASE | Details |
| B138411 | CHEMBL4450943 | -- | -- | 392.28 | C20H19Cl2NO3 | NEUTRAL | Details |
| B138412 | CHEMBL445102 | Small molecule | -- | 340.85 | C20H21ClN2O | BASE | Details |
| B138413 | CHEMBL4451056 | -- | -- | 268.4 | C16H28O3 | ACID | Details |
| B138414 | CHEMBL4451125 | -- | -- | 325.35 | C17H16FN5O | NEUTRAL | Details |
| B138415 | CHEMBL4451187 | -- | -- | 436.79 | C17H17ClF4N4O3 | BASE | Details |
| B138416 | CHEMBL4451273 | -- | -- | 423.83 | C19H17ClF3N5O | BASE | Details |
| B138417 | CHEMBL4451290 | -- | -- | 379.85 | C20H18ClN5O | NEUTRAL | Details |
| B138418 | CHEMBL4451338 | -- | -- | 395.93 | C18H18ClNO3S2 | NEUTRAL | Details |
| B138419 | CHEMBL4451425 | -- | -- | 652.26 | C38H38ClN3O3S | ACID | Details |
| B138420 | CHEMBL4451432 | -- | -- | 362.26 | C19H17Cl2NO2 | NEUTRAL | Details |
| B138421 | CHEMBL4451458 | -- | -- | 312.75 | C14H17ClN2O4 | NEUTRAL | Details |
| B138422 | CHEMBL4451462 | -- | -- | 619.62 | C34H29F4N3O4 | ACID | Details |
| B138423 | CHEMBL445151 | Small molecule | -- | 471.51 | C27H25N3O5 | ACID | Details |
| B138424 | CHEMBL4451515 | -- | -- | 501.36 | C23H22BrFN4O3 | NEUTRAL | Details |
| B138425 | CHEMBL4451558 | -- | -- | 425.83 | C20H17ClF3N3O2 | BASE | Details |
| B138426 | CHEMBL4451559 | -- | -- | 351.45 | C21H25N3O2 | BASE | Details |
| B138427 | CHEMBL4451579 | -- | -- | 399.32 | C13H16Cl2N2O4S2 | ACID | Details |
| B138428 | CHEMBL4451618 | -- | -- | 463.89 | C23H21ClF3N3O2 | BASE | Details |
| B138429 | CHEMBL4451632 | -- | -- | 510.03 | C24H29ClFN3O4S | BASE | Details |
| B138430 | CHEMBL4451663 | -- | -- | 474.44 | C19H21Cl2N3O3S2 | NEUTRAL | Details |
| B138431 | CHEMBL4451764 | -- | -- | 400.28 | C19H18BrN3O2 | ACID | Details |
| B138432 | CHEMBL4451894 | -- | -- | 396.89 | C19H21ClO5S | NEUTRAL | Details |
| B138433 | CHEMBL4452012 | -- | -- | 235.67 | C12H10ClNO2 | NEUTRAL | Details |
| B138434 | CHEMBL445206 | Small molecule | ISOEUGENOL | 164.2 | C10H12O2 | NEUTRAL | Details |
| B138435 | CHEMBL4452142 | -- | -- | 347.8 | C18H18ClNO4 | NEUTRAL | Details |
| B138436 | CHEMBL4452346 | -- | -- | 475.59 | C28H33N3O4 | NEUTRAL | Details |
| B138437 | CHEMBL4452409 | -- | -- | 486.83 | C24H14ClF3N2O4 | ACID | Details |
| B138438 | CHEMBL445247 | Small molecule | -- | 752.17 | C41H34ClNO11 | ACID | Details |
| B138439 | CHEMBL4452558 | -- | -- | 341.79 | C19H16ClNO3 | NEUTRAL | Details |
| B138440 | CHEMBL4452655 | -- | -- | 265.32 | C16H15N3O | NEUTRAL | Details |
| B138441 | CHEMBL4452679 | -- | -- | 500.86 | C25H16ClF3N2O4 | ACID | Details |
| B138442 | CHEMBL4452698 | -- | -- | 667.84 | C37H53N3O8 | NEUTRAL | Details |
| B138443 | CHEMBL4452699 | -- | -- | 530.37 | C23H23IN4O3 | NEUTRAL | Details |
| B138444 | CHEMBL4452704 | -- | -- | 391.42 | C19H25N3O6 | NEUTRAL | Details |
| B138445 | CHEMBL4452781 | -- | -- | 378.56 | C25H34N2O | NEUTRAL | Details |
| B138446 | CHEMBL4452833 | -- | -- | 474.53 | C24H29F3N6O | NEUTRAL | Details |
| B138447 | CHEMBL4452865 | -- | -- | 514.58 | C29H30N4O5 | ACID | Details |
| B138448 | CHEMBL4452883 | -- | -- | 378.56 | C25H34N2O | NEUTRAL | Details |
| B138449 | CHEMBL4452915 | -- | -- | 507.43 | C22H23F6N3O4 | BASE | Details |
| B138450 | CHEMBL4452945 | -- | -- | 669.62 | C35H29F6N3O4 | ACID | Details |
| B138451 | CHEMBL4452950 | -- | -- | 415.85 | C21H19ClFN3O3 | NEUTRAL | Details |
| B138452 | CHEMBL4453024 | -- | -- | 313.4 | C19H23NO3 | NEUTRAL | Details |
| B138453 | CHEMBL445304 | Small molecule | -- | 153.14 | C7H7NO3 | ACID | Details |
| B138454 | CHEMBL4453103 | -- | -- | 180.25 | C9H16N4 | NEUTRAL | Details |
| B138455 | CHEMBL445311 | Small molecule | -- | 497.02 | C26H30ClFN6O | NEUTRAL | Details |
| B138456 | CHEMBL4453208 | -- | -- | 433.84 | C21H18ClF2N3O3 | NEUTRAL | Details |
| B138457 | CHEMBL4453254 | -- | -- | 280.32 | C18H16O3 | NEUTRAL | Details |
| B138458 | CHEMBL4453360 | -- | -- | 542.64 | C31H34N4O5 | ACID | Details |
| B138459 | CHEMBL4453362 | -- | -- | 528.12 | C28H34ClN3O3S | ACID | Details |
| B138460 | CHEMBL445338 | Small molecule | SPIROXAMINE | 297.48 | C18H35NO2 | BASE | Details |
| B138461 | CHEMBL4453417 | -- | -- | 611.72 | C35H38FN5O4 | NEUTRAL | Details |
| B138462 | CHEMBL4453502 | -- | -- | 303.75 | C16H14ClNO3 | NEUTRAL | Details |
| B138463 | CHEMBL4453609 | -- | -- | 266.3 | C16H14N2O2 | BASE | Details |
| B138464 | CHEMBL4453610 | -- | -- | 483.36 | C24H23BrN2O4 | ACID | Details |
| B138465 | CHEMBL4453718 | -- | -- | 373.89 | C19H24ClN5O | NEUTRAL | Details |
| B138466 | CHEMBL4453727 | -- | -- | 541.61 | C33H27N5O3 | NEUTRAL | Details |
| B138467 | CHEMBL4453775 | -- | -- | 346.91 | C14H19ClN2O2S2 | NEUTRAL | Details |
| B138468 | CHEMBL4453813 | -- | -- | 352.77 | C16H17ClN2O5 | ACID | Details |
| B138469 | CHEMBL4453928 | -- | -- | 365.48 | C22H27N3O2 | BASE | Details |
| B138470 | CHEMBL4453953 | -- | -- | 386.25 | C19H16BrNO3 | NEUTRAL | Details |
| B138471 | CHEMBL445400 | Small molecule | -- | 603.04 | C29H27ClN8O5 | ACID | Details |
| B138472 | CHEMBL4454050 | -- | -- | 533.55 | C26H30F3N5O4 | BASE | Details |
| B138473 | CHEMBL4454057 | -- | -- | 264.32 | C15H20O4 | NEUTRAL | Details |
| B138474 | CHEMBL4454062 | -- | -- | 402.85 | C21H20ClFN2O3 | NEUTRAL | Details |
| B138475 | CHEMBL4454087 | -- | -- | 445.48 | C25H23N3O5 | NEUTRAL | Details |
| B138476 | CHEMBL4454115 | -- | -- | 363.72 | C14H13ClF3N3O3 | BASE | Details |
| B138477 | CHEMBL4454120 | -- | -- | 572.71 | C33H40N4O5 | ACID | Details |
| B138478 | CHEMBL4454138 | -- | -- | 493.57 | C29H27N5O3 | ACID | Details |
| B138479 | CHEMBL4454184 | -- | -- | 504.71 | C30H48O6 | NEUTRAL | Details |
| B138480 | CHEMBL4454185 | -- | -- | 629.78 | C34H39N5O5S | NEUTRAL | Details |
| B138481 | CHEMBL445420 | Small molecule | -- | 187.2 | C10H9N3O | NEUTRAL | Details |
| B138482 | CHEMBL4454209 | -- | -- | 481.45 | C17H18Cl2N2O4S3 | NEUTRAL | Details |
| B138483 | CHEMBL4454221 | -- | -- | 365.44 | C20H23N5O2 | NEUTRAL | Details |
| B138484 | CHEMBL4454228 | -- | -- | 529.96 | C28H21ClFN5O3 | ACID | Details |
| B138485 | CHEMBL4454297 | -- | -- | 315.76 | C15H14ClN5O | NEUTRAL | Details |
| B138486 | CHEMBL4454321 | -- | -- | 857.11 | C41H60N8O8S2 | ZWITTERION | Details |
| B138487 | CHEMBL4454433 | -- | -- | 450.16 | C11H11BrCl2N2O4S2 | ACID | Details |
| B138488 | CHEMBL4454536 | -- | -- | 411.85 | C20H18ClN5O3 | NEUTRAL | Details |
| B138489 | CHEMBL4454550 | -- | -- | 369.37 | C21H17F2NO3 | ACID | Details |
| B138490 | CHEMBL4454594 | -- | -- | 453.97 | C25H28ClN3O3 | NEUTRAL | Details |
| B138491 | CHEMBL4454596 | -- | -- | 395.39 | C18H22FN3O6 | NEUTRAL | Details |
| B138492 | CHEMBL4454692 | -- | -- | 546.98 | C26H26ClF3N6O2 | BASE | Details |
| B138493 | CHEMBL4454699 | -- | -- | 357.34 | C19H16FNO5 | ACID | Details |
| B138494 | CHEMBL4454778 | -- | -- | 535.75 | C31H41N3O3S | ACID | Details |
| B138495 | CHEMBL4454888 | -- | -- | 382.41 | C22H22O6 | NEUTRAL | Details |
| B138496 | CHEMBL4454904 | -- | -- | 305.38 | C19H19N3O | BASE | Details |
| B138497 | CHEMBL4454999 | -- | -- | 329.79 | C17H16ClN3O2 | ACID | Details |
| B138498 | CHEMBL4455067 | -- | -- | 486.69 | C30H46O5 | NEUTRAL | Details |
| B138499 | CHEMBL4455121 | -- | -- | 381.44 | C23H19N5O | NEUTRAL | Details |
| B138500 | CHEMBL4455225 | -- | -- | 435.52 | C25H29N3O4 | NEUTRAL | Details |