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 | |
|---|---|---|---|---|---|---|---|
| B141601 | CHEMBL4793814 | -- | -- | 359.81 | C18H18ClN3O3 | NEUTRAL | Details |
| B141602 | CHEMBL479383 | Small molecule | -- | 397.5 | C21H23N3O3S | NEUTRAL | Details |
| B141603 | CHEMBL4793924 | -- | -- | 494.56 | C27H26N8O2 | NEUTRAL | Details |
| B141604 | CHEMBL47940 | Small molecule | -- | 370.46 | C23H22N4O | NEUTRAL | Details |
| B141605 | CHEMBL4794072 | -- | -- | 5483.22 | C251H391N59O78 | None | Details |
| B141606 | CHEMBL4794153 | -- | -- | 401.51 | C26H27NO3 | NEUTRAL | Details |
| B141607 | CHEMBL4794226 | -- | -- | 408.5 | C21H16N2O3S2 | ACID | Details |
| B141608 | CHEMBL4794233 | -- | -- | 512.68 | C31H32N2O3S | ACID | Details |
| B141609 | CHEMBL4794246 | -- | -- | 438.42 | C22H24F2O7 | NEUTRAL | Details |
| B141610 | CHEMBL4794273 | -- | -- | 4754.42 | C216H331N47O69S2 | None | Details |
| B141611 | CHEMBL4794375 | -- | -- | 330.36 | C18H19FN2O3 | NEUTRAL | Details |
| B141612 | CHEMBL4794472 | -- | -- | 417.31 | C19H21BrN4O2 | NEUTRAL | Details |
| B141613 | CHEMBL4794473 | -- | -- | 250.64 | C11H7ClN2O3 | NEUTRAL | Details |
| B141614 | CHEMBL4794492 | -- | -- | 486.93 | C25H22ClF3N4O | NEUTRAL | Details |
| B141615 | CHEMBL4794502 | -- | -- | 360.24 | C19H15Cl2NO2 | NEUTRAL | Details |
| B141616 | CHEMBL4794509 | -- | -- | 328.42 | C16H12N2O2S2 | ACID | Details |
| B141617 | CHEMBL4794560 | -- | -- | 281.79 | C14H20ClN3O | NEUTRAL | Details |
| B141618 | CHEMBL4794578 | -- | -- | 397.44 | C20H23N5O4 | NEUTRAL | Details |
| B141619 | CHEMBL4794680 | -- | -- | 4049.46 | C186H275N39O62 | None | Details |
| B141620 | CHEMBL4794704 | -- | -- | 616.63 | C31H28F4N2O5S | ACID | Details |
| B141621 | CHEMBL4794904 | -- | -- | 488.03 | C30H30ClNO3 | ZWITTERION | Details |
| B141622 | CHEMBL4794924 | -- | -- | 279.81 | C15H22ClN3 | NEUTRAL | Details |
| B141623 | CHEMBL4794932 | -- | -- | 464.54 | C21H28N4O6S | NEUTRAL | Details |
| B141624 | CHEMBL4795179 | -- | -- | 886.1 | C45H69F2N9O7 | BASE | Details |
| B141625 | CHEMBL4795284 | -- | -- | 189.69 | C8H16ClN3 | BASE | Details |
| B141626 | CHEMBL4795318 | -- | -- | 392.33 | C16H26O7P2 | NEUTRAL | Details |
| B141627 | CHEMBL479533 | Small molecule | HERBIMYCIN | 574.67 | C30H42N2O9 | NEUTRAL | Details |
| B141628 | CHEMBL479534 | Small molecule | -- | 597.64 | C29H44NO10P | ACID | Details |
| B141629 | CHEMBL4795355 | -- | -- | 333.79 | C15H19ClF3N3 | NEUTRAL | Details |
| B141630 | CHEMBL4795390 | -- | -- | 4269.74 | C189H283N47O62S2 | None | Details |
| B141631 | CHEMBL4795525 | -- | -- | 6204.18 | C281H447N67O86S2 | None | Details |
| B141632 | CHEMBL479563 | Small molecule | -- | 265.31 | C17H15NO2 | NEUTRAL | Details |
| B141633 | CHEMBL4795646 | -- | -- | 734.53 | C29H21Cl2F4N3O7S2 | NEUTRAL | Details |
| B141634 | CHEMBL4795671 | -- | -- | 336.43 | C18H28N2O4 | NEUTRAL | Details |
| B141635 | CHEMBL4795694 | -- | -- | 326.36 | C15H18N8O | NEUTRAL | Details |
| B141636 | CHEMBL4795714 | -- | -- | 371.91 | C21H26ClN3O | NEUTRAL | Details |
| B141637 | CHEMBL4795718 | -- | -- | 6111.95 | C284H419N61O85S2 | None | Details |
| B141638 | CHEMBL4795763 | -- | -- | 498.65 | C30H30N2O3S | ACID | Details |
| B141639 | CHEMBL4795824 | -- | -- | 494.6 | C30H30N4O3 | NEUTRAL | Details |
| B141640 | CHEMBL479583 | Small molecule | -- | 543.4 | C27H24Cl2N2O6 | ACID | Details |
| B141641 | CHEMBL479584 | Small molecule | -- | 437.24 | C19H14Cl2N2O6 | ACID | Details |
| B141642 | CHEMBL4795938 | -- | -- | 424.52 | C20H28N2O6S | NEUTRAL | Details |
| B141643 | CHEMBL4795965 | -- | -- | 373.42 | C20H19N7O | NEUTRAL | Details |
| B141644 | CHEMBL4796216 | -- | -- | 4384.87 | C191H296N56O61S | None | Details |
| B141645 | CHEMBL4796219 | -- | -- | 312.34 | C14H16N8O | NEUTRAL | Details |
| B141646 | CHEMBL4796243 | -- | -- | 5532.25 | C250H382N56O81S2 | None | Details |
| B141647 | CHEMBL479627 | Small molecule | -- | 519.76 | C27H45N5O3S | BASE | Details |
| B141648 | CHEMBL4796324 | -- | -- | 430.89 | C21H23ClN4O4 | NEUTRAL | Details |
| B141649 | CHEMBL479642 | Small molecule | -- | 510.99 | C25H30ClF3N4O2 | BASE | Details |
| B141650 | CHEMBL479643 | Small molecule | -- | 545.43 | C25H29Cl2F3N4O2 | BASE | Details |
| B141651 | CHEMBL4796468 | -- | -- | 347.8 | C17H18ClN3O3 | NEUTRAL | Details |
| B141652 | CHEMBL4796473 | -- | -- | 469.49 | C25H25F2N3O4 | NEUTRAL | Details |
| B141653 | CHEMBL4796519 | -- | -- | 364.47 | C15H12N2O3S3 | ACID | Details |
| B141654 | CHEMBL4796666 | -- | -- | 271.36 | C17H21NO2 | ACID | Details |
| B141655 | CHEMBL4796689 | -- | -- | 474.95 | C23H27ClN4O5 | NEUTRAL | Details |
| B141656 | CHEMBL479685 | Small molecule | -- | 194.23 | C11H14O3 | NEUTRAL | Details |
| B141657 | CHEMBL4796864 | -- | -- | 266.78 | C13H19ClN4 | NEUTRAL | Details |
| B141658 | CHEMBL479689 | Small molecule | PACHYRRIZINE | 336.3 | C19H12O6 | NEUTRAL | Details |
| B141659 | CHEMBL4796925 | -- | -- | 378.4 | C18H18N8O2 | NEUTRAL | Details |
| B141660 | CHEMBL4796992 | -- | -- | 323.82 | C16H22ClN3O2 | NEUTRAL | Details |
| B141661 | CHEMBL4797059 | -- | -- | 543.62 | C27H47NO6P2 | NEUTRAL | Details |
| B141662 | CHEMBL4797124 | -- | -- | 511.69 | C32H33NO3S | ZWITTERION | Details |
| B141663 | CHEMBL4797451 | -- | -- | 1169.43 | C62H86F2N10O10 | None | Details |
| B141664 | CHEMBL4797471 | -- | -- | 493.59 | C22H31N5O6S | BASE | Details |
| B141665 | CHEMBL4797510 | -- | -- | 338.4 | C17H26N2O5 | NEUTRAL | Details |
| B141666 | CHEMBL4797594 | -- | -- | 403.28 | C18H19BrN4O2 | NEUTRAL | Details |
| B141667 | CHEMBL4797598 | -- | -- | 379.34 | C18H16F3N3O3 | NEUTRAL | Details |
| B141668 | CHEMBL4797657 | -- | -- | 341.23 | C17H18Cl2O3 | NEUTRAL | Details |
| B141669 | CHEMBL4797699 | -- | -- | 422.89 | C23H20ClFN4O | NEUTRAL | Details |
| B141670 | CHEMBL4797735 | -- | -- | 472.52 | C22H24N4O6S | NEUTRAL | Details |
| B141671 | CHEMBL4797745 | -- | -- | 627.72 | C35H38FN5O5 | NEUTRAL | Details |
| B141672 | CHEMBL4797788 | -- | -- | 3492.85 | C154H227N37O52S2 | None | Details |
| B141673 | CHEMBL4797794 | -- | -- | 3918.33 | C181H266N38O59 | None | Details |
| B141674 | CHEMBL4797841 | -- | -- | 348.43 | C20H16N2O2S | ACID | Details |
| B141675 | CHEMBL4797858 | -- | -- | 570.73 | C38H38N2O3 | ZWITTERION | Details |
| B141676 | CHEMBL4797861 | -- | -- | 414.46 | C25H22N2O4 | ACID | Details |
| B141677 | CHEMBL4797877 | -- | -- | 332.31 | C17H16O7 | NEUTRAL | Details |
| B141678 | CHEMBL4798023 | -- | -- | 509.62 | C33H32FNO3 | ACID | Details |
| B141679 | CHEMBL4798024 | -- | -- | 358.32 | C15H17F3N4O3 | NEUTRAL | Details |
| B141680 | CHEMBL4798426 | -- | -- | 432.52 | C25H28N4O3 | NEUTRAL | Details |
| B141681 | CHEMBL4798460 | -- | -- | 318.8 | C18H19ClO3 | NEUTRAL | Details |
| B141682 | CHEMBL4798541 | -- | -- | 5788.6 | C268H414N60O82 | None | Details |
| B141683 | CHEMBL4798566 | -- | -- | 341.89 | C20H24ClN3 | NEUTRAL | Details |
| B141684 | CHEMBL4798699 | -- | -- | 293.84 | C16H24ClN3 | NEUTRAL | Details |
| B141685 | CHEMBL4798812 | -- | -- | 293.84 | C16H24ClN3 | NEUTRAL | Details |
| B141686 | CHEMBL4798903 | -- | -- | 447.49 | C25H25N3O5 | ACID | Details |
| B141687 | CHEMBL4798993 | -- | -- | 526.08 | C33H32ClNO3 | ACID | Details |
| B141688 | CHEMBL4798995 | -- | -- | 4811.29 | C220H326N48O73 | None | Details |
| B141689 | CHEMBL4799182 | -- | -- | 5326.91 | C242H351N55O77S2 | None | Details |
| B141690 | CHEMBL4799235 | -- | -- | 348.47 | C15H12N2O2S3 | ACID | Details |
| B141691 | CHEMBL4799291 | -- | -- | 315.85 | C18H22ClN3 | NEUTRAL | Details |
| B141692 | CHEMBL4799343 | -- | -- | 886.1 | C45H69F2N9O7 | BASE | Details |
| B141693 | CHEMBL4799364 | -- | -- | 340.39 | C16H20N8O | NEUTRAL | Details |
| B141694 | CHEMBL47994 | Small molecule | -- | 416.42 | C14H20N6O7S | ZWITTERION | Details |
| B141695 | CHEMBL4799453 | -- | -- | 523.63 | C33H33NO5 | ACID | Details |
| B141696 | CHEMBL4799516 | -- | -- | 452.48 | C22H22F2O6S | NEUTRAL | Details |
| B141697 | CHEMBL4799590 | -- | -- | 290.71 | C14H11ClN2O3 | NEUTRAL | Details |
| B141698 | CHEMBL4799629 | -- | -- | 345.81 | C16H12ClN3O2S | NEUTRAL | Details |
| B141699 | CHEMBL4799672 | -- | -- | 410.26 | C17H17Cl2N5O3 | NEUTRAL | Details |
| B141700 | CHEMBL4799783 | -- | -- | 340.39 | C16H20N8O | NEUTRAL | Details |