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 | |
|---|---|---|---|---|---|---|---|
| B145501 | CHEMBL84158 | Small molecule | TIAPRIDE | 328.43 | C15H24N2O4S | NEUTRAL | Details |
| B145502 | CHEMBL84181 | Small molecule | -- | 392.52 | C20H28N2O4S | NEUTRAL | Details |
| B145503 | CHEMBL84268 | Small molecule | -- | 486.68 | C26H38N4O3S | BASE | Details |
| B145504 | CHEMBL84281 | Small molecule | -- | 312.35 | C17H12O4S | ACID | Details |
| B145505 | CHEMBL843 | Small molecule | ROSIGLITAZONE MALEATE | 473.51 | C22H23N3O7S | NEUTRAL | Details |
| B145506 | CHEMBL84309 | Small molecule | -- | 577.79 | C33H43N3O4S | BASE | Details |
| B145507 | CHEMBL84326 | Small molecule | -- | 348.42 | C17H20N2O4S | NEUTRAL | Details |
| B145508 | CHEMBL84351 | Small molecule | -- | 631.88 | C37H49N3O4S | NEUTRAL | Details |
| B145509 | CHEMBL84374 | Small molecule | -- | 523.14 | C30H35ClN2O2S | BASE | Details |
| B145510 | CHEMBL844 | Small molecule | BRIMONIDINE | 292.14 | C11H10BrN5 | NEUTRAL | Details |
| B145511 | CHEMBL84422 | Small molecule | -- | 348.42 | C17H20N2O4S | NEUTRAL | Details |
| B145512 | CHEMBL84440 | Small molecule | -- | 317.35 | C14H19N7O2 | BASE | Details |
| B145513 | CHEMBL84491 | Small molecule | -- | 420.58 | C22H32N2O4S | NEUTRAL | Details |
| B145514 | CHEMBL84558 | Small molecule | -- | 263.32 | C13H13NO3S | ACID | Details |
| B145515 | CHEMBL84685 | Small molecule | -- | 223.23 | C14H9NO2 | NEUTRAL | Details |
| B145516 | CHEMBL84826 | Small molecule | -- | 350.44 | C17H22N2O4S | NEUTRAL | Details |
| B145517 | CHEMBL84844 | Small molecule | DEOXYMANNOJIRIMYCIN | 163.17 | C6H13NO4 | NEUTRAL | Details |
| B145518 | CHEMBL849 | Small molecule | TRICLOSAN | 289.55 | C12H7Cl3O2 | NEUTRAL | Details |
| B145519 | CHEMBL85 | Small molecule | RISPERIDONE | 410.49 | C23H27FN4O2 | BASE | Details |
| B145520 | CHEMBL850 | Small molecule | SPARFLOXACIN | 392.41 | C19H22F2N4O3 | ZWITTERION | Details |
| B145521 | CHEMBL85086 | Small molecule | -- | 563.76 | C32H41N3O4S | NEUTRAL | Details |
| B145522 | CHEMBL85109 | Small molecule | ORTHOTOLIDINE | 212.3 | C14H16N2 | NEUTRAL | Details |
| B145523 | CHEMBL852 | Small molecule | MELPHALAN | 305.21 | C13H18Cl2N2O2 | ZWITTERION | Details |
| B145524 | CHEMBL853 | Small molecule | ZALCITABINE | 211.22 | C9H13N3O3 | NEUTRAL | Details |
| B145525 | CHEMBL85321 | Small molecule | -- | 312.37 | C21H16N2O | NEUTRAL | Details |
| B145526 | CHEMBL85595 | Small molecule | -- | 415.55 | C24H29N7 | ACID | Details |
| B145527 | CHEMBL856 | Small molecule | PRIMIDONE | 218.26 | C12H14N2O2 | NEUTRAL | Details |
| B145528 | CHEMBL85728 | Small molecule | 4,4'-METHYLENEDIANILINE | 198.27 | C13H14N2 | NEUTRAL | Details |
| B145529 | CHEMBL85811 | Small molecule | -- | 216.24 | C12H12N2O2 | NEUTRAL | Details |
| B145530 | CHEMBL85863 | Small molecule | -- | 689.61 | C31H33F6N3O8 | ACID | Details |
| B145531 | CHEMBL8597 | Small molecule | ASCOMYCIN | 792.02 | C43H69NO12 | NEUTRAL | Details |
| B145532 | CHEMBL86 | Small molecule | METOCLOPRAMIDE | 299.8 | C14H22ClN3O2 | BASE | Details |
| B145533 | CHEMBL86104 | Small molecule | -- | 292.14 | C12H10BrN3O | NEUTRAL | Details |
| B145534 | CHEMBL862 | Small molecule | GUANFACINE | 246.1 | C9H9Cl2N3O | BASE | Details |
| B145535 | CHEMBL86304 | Small molecule | MOCLOBEMIDE | 268.74 | C13H17ClN2O2 | NEUTRAL | Details |
| B145536 | CHEMBL86419 | Small molecule | -- | 621.65 | C30H34Cl2N2O4S2 | NEUTRAL | Details |
| B145537 | CHEMBL86464 | Small molecule | -- | 337.81 | C19H16ClN3O | BASE | Details |
| B145538 | CHEMBL865 | Small molecule | VALDECOXIB | 314.37 | C16H14N2O3S | NEUTRAL | Details |
| B145539 | CHEMBL86532 | Small molecule | -- | 241.25 | C14H11NO3 | ACID | Details |
| B145540 | CHEMBL8659 | Small molecule | OLEIC ACID | 282.47 | C18H34O2 | ACID | Details |
| B145541 | CHEMBL866 | Small molecule | MYCOPHENOLIC ACID | 320.34 | C17H20O6 | ACID | Details |
| B145542 | CHEMBL86657 | Small molecule | -- | 405.49 | C25H27NO4 | ACID | Details |
| B145543 | CHEMBL86658 | Small molecule | -- | 403.48 | C25H25NO4 | ACID | Details |
| B145544 | CHEMBL86688 | Small molecule | -- | 481.39 | C26H25BrO4 | ACID | Details |
| B145545 | CHEMBL86754 | Small molecule | IODOQUINOL | 396.95 | C9H5I2NO | NEUTRAL | Details |
| B145546 | CHEMBL86755 | Small molecule | -- | 210.24 | C13H10N2O | NEUTRAL | Details |
| B145547 | CHEMBL86795 | Small molecule | INDAZOLE | 118.14 | C7H6N2 | NEUTRAL | Details |
| B145548 | CHEMBL86817 | Small molecule | -- | 534.61 | C34H30O6 | ACID | Details |
| B145549 | CHEMBL8682 | Small molecule | -- | 224.17 | C9H8N2O5 | ACID | Details |
| B145550 | CHEMBL869 | Small molecule | NITROFURAZONE | 198.14 | C6H6N4O4 | NEUTRAL | Details |
| B145551 | CHEMBL86943 | Small molecule | -- | 310.35 | C18H18N2O3 | NEUTRAL | Details |
| B145552 | CHEMBL86997 | Small molecule | -- | 350.4 | C16H18N2O5S | NEUTRAL | Details |
| B145553 | CHEMBL870 | Small molecule | ALENDRONIC ACID | 249.1 | C4H13NO7P2 | ZWITTERION | Details |
| B145554 | CHEMBL8706 | Small molecule | CLORGILINE | 272.18 | C13H15Cl2NO | NEUTRAL | Details |
| B145555 | CHEMBL871 | Small molecule | ETIDRONIC ACID | 206.03 | C2H8O7P2 | ACID | Details |
| B145556 | CHEMBL87167 | Small molecule | -- | 583.65 | C28H36Cl2N2O3S2 | NEUTRAL | Details |
| B145557 | CHEMBL87189 | Small molecule | -- | 224.22 | C14H8O3 | None | Details |
| B145558 | CHEMBL87277 | Small molecule | -- | 306.8 | C15H19ClN4O | NEUTRAL | Details |
| B145559 | CHEMBL87285 | Small molecule | ANDROSTERONE | 290.45 | C19H30O2 | NEUTRAL | Details |
| B145560 | CHEMBL87307 | Small molecule | -- | 560.28 | C26H24Br2O4 | ACID | Details |
| B145561 | CHEMBL87380 | Small molecule | -- | 430.54 | C28H30O4 | ACID | Details |
| B145562 | CHEMBL8739 | Small molecule | LINOLENIC ACID | 278.44 | C18H30O2 | ACID | Details |
| B145563 | CHEMBL87426 | Small molecule | -- | 189.17 | C10H7NO3 | NEUTRAL | Details |
| B145564 | CHEMBL8747 | Small molecule | REV-5901 | 335.45 | C22H25NO2 | NEUTRAL | Details |
| B145565 | CHEMBL87568 | Small molecule | -- | 268.28 | C14H12N4O2 | NEUTRAL | Details |
| B145566 | CHEMBL876 | Small molecule | MECLOFENAMATE SODIUM | 318.14 | C14H10Cl2NNaO2 | ACID | Details |
| B145567 | CHEMBL877 | Small molecule | TRANEXAMIC ACID | 157.21 | C8H15NO2 | ZWITTERION | Details |
| B145568 | CHEMBL878 | Small molecule | METOLAZONE | 365.84 | C16H16ClN3O3S | NEUTRAL | Details |
| B145569 | CHEMBL87928 | Small molecule | -- | 468.55 | C30H28O5 | ACID | Details |
| B145570 | CHEMBL88 | Small molecule | CYCLOPHOSPHAMIDE | 261.09 | C7H15Cl2N2O2P | NEUTRAL | Details |
| B145571 | CHEMBL880 | Small molecule | FAMCICLOVIR | 321.34 | C14H19N5O4 | NEUTRAL | Details |
| B145572 | CHEMBL88131 | Small molecule | -- | 511.69 | C28H37N3O4S | NEUTRAL | Details |
| B145573 | CHEMBL88159 | Small molecule | -- | 605.65 | C30H34Cl2N2O3S2 | NEUTRAL | Details |
| B145574 | CHEMBL88164 | Small molecule | -- | 494.68 | C29H35FN2O2S | BASE | Details |
| B145575 | CHEMBL88197 | Small molecule | -- | 476.69 | C29H36N2O2S | BASE | Details |
| B145576 | CHEMBL88219 | Small molecule | -- | 494.68 | C29H35FN2O2S | BASE | Details |
| B145577 | CHEMBL88261 | Small molecule | -- | 626.07 | C29H31Cl3N2O3S2 | NEUTRAL | Details |
| B145578 | CHEMBL88319 | Small molecule | -- | 542.53 | C29H29Cl2NO3S | BASE | Details |
| B145579 | CHEMBL88344 | Small molecule | -- | 626.07 | C29H31Cl3N2O3S2 | NEUTRAL | Details |
| B145580 | CHEMBL88358 | Small molecule | -- | 613.41 | C24H19F8N3O7 | ACID | Details |
| B145581 | CHEMBL88381 | Small molecule | -- | 615.72 | C33H43F2N3O6 | ACID | Details |
| B145582 | CHEMBL88455 | Small molecule | -- | 506.74 | C29H34N2O2S2 | BASE | Details |
| B145583 | CHEMBL88467 | Small molecule | -- | 563.54 | C25H33F4N3O7 | ACID | Details |
| B145584 | CHEMBL88471 | Small molecule | -- | 463.53 | C26H29N3O5 | ACID | Details |
| B145585 | CHEMBL88517 | Small molecule | -- | 631.58 | C31H29F4N3O7 | ACID | Details |
| B145586 | CHEMBL88540 | Small molecule | -- | 591.51 | C28H25F4N3O7 | ACID | Details |
| B145587 | CHEMBL88584 | Small molecule | -- | 376.39 | C16H16N4O5S | ACID | Details |
| B145588 | CHEMBL88644 | Small molecule | -- | 597.67 | C29H38Cl2N2O3S2 | NEUTRAL | Details |
| B145589 | CHEMBL88719 | Small molecule | -- | 641.57 | C32H27F4N3O7 | ACID | Details |
| B145590 | CHEMBL88728 | Small molecule | -- | 605.54 | C29H27F4N3O7 | ACID | Details |
| B145591 | CHEMBL88740 | Small molecule | -- | 356.51 | C23H32O3 | ACID | Details |
| B145592 | CHEMBL88765 | Small molecule | -- | 605.54 | C29H27F4N3O7 | ACID | Details |
| B145593 | CHEMBL88786 | Small molecule | -- | 595.55 | C28H29F4N3O7 | ACID | Details |
| B145594 | CHEMBL88795 | Small molecule | -- | 581.56 | C29H32N3O8P | ACID | Details |
| B145595 | CHEMBL888 | Small molecule | GEMCITABINE | 263.2 | C9H11F2N3O4 | NEUTRAL | Details |
| B145596 | CHEMBL88811 | Small molecule | -- | 267.28 | C16H13NO3 | NEUTRAL | Details |
| B145597 | CHEMBL8883 | Small molecule | -- | 333.84 | C16H16ClN3OS | NEUTRAL | Details |
| B145598 | CHEMBL88917 | Small molecule | -- | 289.36 | C14H15N3O2S | ACID | Details |
| B145599 | CHEMBL88924 | Small molecule | -- | 533.65 | C29H31N3O5S | ACID | Details |
| B145600 | CHEMBL88927 | Small molecule | -- | 540.73 | C29H33FN2O3S2 | NEUTRAL | Details |