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 | |
|---|---|---|---|---|---|---|---|
| B105601 | CHEMBL1909072 | Small molecule | PIPAMAZINE | 401.96 | C21H24ClN3OS | BASE | Details |
| B105602 | CHEMBL1909073 | Small molecule | PIPERILATE ETHOBROMIDE | 448.4 | C23H30BrNO3 | NEUTRAL | Details |
| B105603 | CHEMBL1909074 | Unknown | POLYVINYLPYRROLIDONE | -- | -- | -- | Details |
| B105604 | CHEMBL1909075 | Unknown | -- | -- | -- | -- | Details |
| B105605 | CHEMBL1909076 | Small molecule | -- | 270.38 | C11H14N2O2S2 | ACID | Details |
| B105606 | CHEMBL1909078 | Small molecule | SODIUM ARSENITE | 129.91 | AsNaO2 | None | Details |
| B105607 | CHEMBL1909079 | Small molecule | STANNOUS FLUORIDE | 156.71 | F2Sn | None | Details |
| B105608 | CHEMBL1909080 | Small molecule | STRONTIUM CHLORIDE HEXAHYDRATE | 266.62 | H12Cl2O6Sr | None | Details |
| B105609 | CHEMBL1909083 | Small molecule | ZIRCONIUM(IV) CHLORIDE | 233.04 | Cl4Zr | None | Details |
| B105610 | CHEMBL190938 | Small molecule | -- | 436.47 | C24H27F3O4 | ACID | Details |
| B105611 | CHEMBL1909455 | Small molecule | -- | 474.66 | C14H10ClN4Na2O8P | ACID | Details |
| B105612 | CHEMBL190968 | Small molecule | -- | 432.94 | C24H29ClO5 | ACID | Details |
| B105613 | CHEMBL190976 | Small molecule | -- | 472.89 | C23H24ClF3O5 | ACID | Details |
| B105614 | CHEMBL190982 | Small molecule | 1,4-DICHLOROBENZENE | 147.0 | C6H4Cl2 | None | Details |
| B105615 | CHEMBL191 | Small molecule | LOSARTAN | 422.92 | C22H23ClN6O | ACID | Details |
| B105616 | CHEMBL1910027 | Small molecule | -- | 1135.33 | C53H99O23P | None | Details |
| B105617 | CHEMBL191003 | Small molecule | JNJ-7706621 | 394.36 | C15H12F2N6O3S | NEUTRAL | Details |
| B105618 | CHEMBL191015 | Small molecule | -- | 242.3 | C13H10N2OS | NEUTRAL | Details |
| B105619 | CHEMBL1910161 | Small molecule | -- | 487.41 | C25H28BrFN2O2 | BASE | Details |
| B105620 | CHEMBL1910162 | Small molecule | -- | 467.51 | C24H29F4N3O2 | BASE | Details |
| B105621 | CHEMBL1910166 | Small molecule | -- | 409.51 | C24H28FN3O2 | BASE | Details |
| B105622 | CHEMBL1910167 | Small molecule | -- | 490.64 | C26H35FN2O4S | BASE | Details |
| B105623 | CHEMBL1910168 | Small molecule | -- | 460.62 | C25H33FN2O3S | BASE | Details |
| B105624 | CHEMBL1910223 | Small molecule | -- | 211.25 | C8H9N3O2S | NEUTRAL | Details |
| B105625 | CHEMBL1910387 | Small molecule | -- | 471.65 | C30H37N3O2 | BASE | Details |
| B105626 | CHEMBL1910388 | Small molecule | -- | 465.6 | C30H31N3O2 | NEUTRAL | Details |
| B105627 | CHEMBL1910389 | Small molecule | -- | 449.55 | C29H27N3O2 | NEUTRAL | Details |
| B105628 | CHEMBL1910390 | Small molecule | -- | 469.63 | C30H35N3O2 | BASE | Details |
| B105629 | CHEMBL1910391 | Small molecule | -- | 483.66 | C31H37N3O2 | BASE | Details |
| B105630 | CHEMBL1910392 | Small molecule | -- | 456.59 | C29H32N2O3 | BASE | Details |
| B105631 | CHEMBL1910393 | Small molecule | -- | 470.61 | C30H34N2O3 | BASE | Details |
| B105632 | CHEMBL1910394 | Small molecule | -- | 426.58 | C24H30N2O3S | BASE | Details |
| B105633 | CHEMBL1910395 | Small molecule | -- | 440.61 | C25H32N2O3S | BASE | Details |
| B105634 | CHEMBL1910396 | Small molecule | -- | 441.6 | C24H31N3O3S | BASE | Details |
| B105635 | CHEMBL1910397 | Small molecule | -- | 483.63 | C26H33N3O4S | BASE | Details |
| B105636 | CHEMBL1910398 | Small molecule | -- | 484.62 | C25H32N4O4S | BASE | Details |
| B105637 | CHEMBL1910399 | Small molecule | -- | 498.65 | C26H34N4O4S | BASE | Details |
| B105638 | CHEMBL1910400 | Small molecule | -- | 512.68 | C27H36N4O4S | BASE | Details |
| B105639 | CHEMBL1910401 | Small molecule | -- | 566.77 | C31H42N4O4S | BASE | Details |
| B105640 | CHEMBL1910402 | Small molecule | -- | 547.74 | C27H37N3O5S2 | ZWITTERION | Details |
| B105641 | CHEMBL1910403 | Small molecule | -- | 540.73 | C29H40N4O4S | BASE | Details |
| B105642 | CHEMBL1910404 | Small molecule | -- | 512.68 | C27H36N4O4S | BASE | Details |
| B105643 | CHEMBL1910405 | Small molecule | -- | 512.68 | C27H36N4O4S | BASE | Details |
| B105644 | CHEMBL191060 | Small molecule | -- | 270.33 | C17H18O3 | ACID | Details |
| B105645 | CHEMBL191080 | Small molecule | -- | 365.16 | C13H5Cl2F3N2OS | NEUTRAL | Details |
| B105646 | CHEMBL191081 | Small molecule | -- | 311.19 | C13H8Cl2N2OS | NEUTRAL | Details |
| B105647 | CHEMBL191083 | Small molecule | METHYLENE BLUE | 284.41 | C16H18N3S+ | NEUTRAL | Details |
| B105648 | CHEMBL191087 | Small molecule | -- | 494.47 | C27H21F3N2O4 | NEUTRAL | Details |
| B105649 | CHEMBL191097 | Small molecule | -- | 458.56 | C28H30N2O4 | NEUTRAL | Details |
| B105650 | CHEMBL191139 | Small molecule | -- | 514.71 | C32H42N4O2 | ZWITTERION | Details |
| B105651 | CHEMBL191149 | Small molecule | -- | 425.53 | C25H31NO5 | ACID | Details |
| B105652 | CHEMBL1911626 | Small molecule | PREAUSTINOID A | 444.57 | C26H36O6 | NEUTRAL | Details |
| B105653 | CHEMBL1911627 | Small molecule | BERKELEYONE A | 446.58 | C26H38O6 | NEUTRAL | Details |
| B105654 | CHEMBL1911628 | Small molecule | BERKELEYONE B | 458.55 | C26H34O7 | NEUTRAL | Details |
| B105655 | CHEMBL1911629 | Small molecule | PREAUSTINOID A1 | 460.57 | C26H36O7 | NEUTRAL | Details |
| B105656 | CHEMBL1911630 | Small molecule | BERKELEYONE C | 458.55 | C26H34O7 | ACID | Details |
| B105657 | CHEMBL19117 | Small molecule | -- | 279.34 | C18H17NO2 | None | Details |
| B105658 | CHEMBL191215 | Small molecule | -- | 665.77 | C37H35N3O7S | ACID | Details |
| B105659 | CHEMBL191235 | Small molecule | -- | 396.53 | C25H32O4 | ACID | Details |
| B105660 | CHEMBL191236 | Small molecule | -- | 472.54 | C28H28N2O5 | NEUTRAL | Details |
| B105661 | CHEMBL191275 | Small molecule | -- | 318.37 | C21H18O3 | ACID | Details |
| B105662 | CHEMBL191276 | Small molecule | -- | 426.55 | C26H34O5 | ACID | Details |
| B105663 | CHEMBL191379 | Small molecule | -- | 518.05 | C31H32ClNO4 | NEUTRAL | Details |
| B105664 | CHEMBL191384 | Small molecule | -- | 372.46 | C20H16N6S | NEUTRAL | Details |
| B105665 | CHEMBL191439 | Small molecule | -- | 477.99 | C28H28ClNO4 | NEUTRAL | Details |
| B105666 | CHEMBL191484 | Small molecule | -- | 331.71 | C12H5ClF3N3OS | NEUTRAL | Details |
| B105667 | CHEMBL191489 | Small molecule | -- | 474.86 | C22H22ClF3O6 | ACID | Details |
| B105668 | CHEMBL1914963 | Small molecule | -- | 266.35 | C16H18N4 | NEUTRAL | Details |
| B105669 | CHEMBL19150 | Small molecule | -- | 662.62 | C30H33F3N6O8 | ACID | Details |
| B105670 | CHEMBL191503 | Small molecule | -- | 605.74 | C31H31N3O6S2 | ACID | Details |
| B105671 | CHEMBL191533 | Small molecule | -- | 433.59 | C28H35NO3 | NEUTRAL | Details |
| B105672 | CHEMBL1915438 | Small molecule | -- | 372.82 | C20H13ClN6 | NEUTRAL | Details |
| B105673 | CHEMBL1915543 | Small molecule | -- | 438.9 | C10H7Br3N4O | NEUTRAL | Details |
| B105674 | CHEMBL1915555 | Small molecule | -- | 599.04 | C17H11Br3N8O2 | ACID | Details |
| B105675 | CHEMBL1915556 | Small molecule | -- | 471.72 | C15H9Cl3N8O2S | ACID | Details |
| B105676 | CHEMBL1915557 | Small molecule | -- | 589.0 | C15H9Br3N8O3 | ACID | Details |
| B105677 | CHEMBL191556 | Small molecule | -- | 453.58 | C27H35NO5 | ACID | Details |
| B105678 | CHEMBL1915761 | Small molecule | GANODERIOL F | 454.7 | C30H46O3 | NEUTRAL | Details |
| B105679 | CHEMBL1915763 | Small molecule | GANODERMANONTRIOL | 472.71 | C30H48O4 | NEUTRAL | Details |
| B105680 | CHEMBL191578 | Small molecule | -- | 497.59 | C31H31NO5 | NEUTRAL | Details |
| B105681 | CHEMBL1915876 | Small molecule | -- | 401.42 | C24H19NO5 | NEUTRAL | Details |
| B105682 | CHEMBL191611 | Small molecule | -- | 274.32 | C18H14N2O | NEUTRAL | Details |
| B105683 | CHEMBL1916359 | Small molecule | -- | 419.67 | C20H10Cl3FN2O | NEUTRAL | Details |
| B105684 | CHEMBL191677 | Small molecule | -- | 474.6 | C29H34N2O4 | NEUTRAL | Details |
| B105685 | CHEMBL1916996 | Small molecule | -- | 332.36 | C14H8N2O4S2 | ACID | Details |
| B105686 | CHEMBL191738 | Small molecule | -- | 603.58 | C28H24F3N3O7S | NEUTRAL | Details |
| B105687 | CHEMBL191741 | Small molecule | -- | 461.6 | C29H35NO4 | NEUTRAL | Details |
| B105688 | CHEMBL1917739 | Small molecule | LUCIDUMOL A | 472.71 | C30H48O4 | NEUTRAL | Details |
| B105689 | CHEMBL191803 | Small molecule | -- | 487.65 | C29H37N5O2 | ZWITTERION | Details |
| B105690 | CHEMBL191877 | Small molecule | -- | 518.55 | C23H26N4O8S | NEUTRAL | Details |
| B105691 | CHEMBL191935 | Small molecule | -- | 156.22 | C9H16O2 | NEUTRAL | Details |
| B105692 | CHEMBL191944 | Small molecule | -- | 510.53 | C24H22N4O7S | NEUTRAL | Details |
| B105693 | CHEMBL191984 | Small molecule | -- | 495.62 | C32H33NO4 | NEUTRAL | Details |
| B105694 | CHEMBL192 | Small molecule | SILDENAFIL | 474.59 | C22H30N6O4S | NEUTRAL | Details |
| B105695 | CHEMBL192070 | Small molecule | -- | 509.65 | C33H35NO4 | NEUTRAL | Details |
| B105696 | CHEMBL192142 | Small molecule | -- | 406.11 | C15H18Br2O3 | ACID | Details |
| B105697 | CHEMBL19215 | Small molecule | METERGOLINE | 403.53 | C25H29N3O2 | NEUTRAL | Details |
| B105698 | CHEMBL192152 | Small molecule | -- | 373.37 | C18H22F3NO4 | ACID | Details |
| B105699 | CHEMBL192174 | Small molecule | -- | 437.54 | C26H31NO5 | NEUTRAL | Details |
| B105700 | CHEMBL192177 | Small molecule | -- | 605.73 | C35H43NO8 | NEUTRAL | Details |