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 | |
|---|---|---|---|---|---|---|---|
| B138601 | CHEMBL4459524 | -- | -- | 354.86 | C17H24ClFN4O | BASE | Details |
| B138602 | CHEMBL445957 | Small molecule | -- | 199.04 | C8H4Cl2N2 | NEUTRAL | Details |
| B138603 | CHEMBL4459587 | -- | -- | 323.42 | C19H17NO2S | NEUTRAL | Details |
| B138604 | CHEMBL445964 | Small molecule | -- | 926.46 | C53H52ClN3O10 | ACID | Details |
| B138605 | CHEMBL445969 | Small molecule | CAULIBUGULONE C | 222.63 | C10H7ClN2O2 | NEUTRAL | Details |
| B138606 | CHEMBL4459695 | -- | -- | 236.35 | C15H24O2 | NEUTRAL | Details |
| B138607 | CHEMBL4459701 | -- | -- | 368.26 | C14H14BrN3O2S | ACID | Details |
| B138608 | CHEMBL4459895 | -- | -- | 569.48 | C24H34BrFN6O4 | BASE | Details |
| B138609 | CHEMBL446 | Small molecule | SULFAMETHAZINE | 278.34 | C12H14N4O2S | NEUTRAL | Details |
| B138610 | CHEMBL4460024 | -- | -- | 486.36 | C24H24BrNO5 | ACID | Details |
| B138611 | CHEMBL4460064 | -- | -- | 551.56 | C31H28F3NO5 | ACID | Details |
| B138612 | CHEMBL4460072 | -- | -- | 400.56 | C25H36O4 | NEUTRAL | Details |
| B138613 | CHEMBL4460136 | -- | -- | 347.8 | C18H18ClNO4 | NEUTRAL | Details |
| B138614 | CHEMBL4460143 | -- | -- | 355.83 | C19H18ClN3O2 | ACID | Details |
| B138615 | CHEMBL4460146 | -- | -- | 379.46 | C22H25N3O3 | ZWITTERION | Details |
| B138616 | CHEMBL4460166 | -- | -- | 470.7 | C26H34N2O2S2 | ACID | Details |
| B138617 | CHEMBL446021 | Small molecule | CHLORAMBEN | 206.03 | C7H5Cl2NO2 | ACID | Details |
| B138618 | CHEMBL4460295 | -- | -- | 431.84 | C19H21ClF3N3O3 | BASE | Details |
| B138619 | CHEMBL4460304 | -- | -- | 268.29 | C16H13FN2O | BASE | Details |
| B138620 | CHEMBL4460323 | -- | -- | 668.86 | C34H48N6O6S | NEUTRAL | Details |
| B138621 | CHEMBL4460379 | -- | -- | 583.77 | C34H49NO7 | NEUTRAL | Details |
| B138622 | CHEMBL4460389 | -- | -- | 432.93 | C22H21ClO5S | NEUTRAL | Details |
| B138623 | CHEMBL4460490 | -- | -- | 341.85 | C13H12ClN3O2S2 | NEUTRAL | Details |
| B138624 | CHEMBL4460558 | -- | -- | 326.39 | C16H26N2O5 | NEUTRAL | Details |
| B138625 | CHEMBL4460559 | -- | -- | 631.59 | C33H30F5NO6 | ACID | Details |
| B138626 | CHEMBL446061 | Small molecule | TROLAMINE | 149.19 | C6H15NO3 | NEUTRAL | Details |
| B138627 | CHEMBL4460658 | -- | -- | 422.55 | C18H18N2O4S3 | NEUTRAL | Details |
| B138628 | CHEMBL4460720 | -- | -- | 388.43 | C22H20N4O3 | NEUTRAL | Details |
| B138629 | CHEMBL4460734 | -- | -- | 374.29 | C15H17Cl2N3O2S | NEUTRAL | Details |
| B138630 | CHEMBL4460788 | -- | -- | 571.71 | C32H45NO8 | NEUTRAL | Details |
| B138631 | CHEMBL4460845 | -- | -- | 352.42 | C14H13FN4O2S2 | NEUTRAL | Details |
| B138632 | CHEMBL4460929 | -- | -- | 274.8 | C10H11ClN2OS2 | NEUTRAL | Details |
| B138633 | CHEMBL4461022 | -- | -- | 457.31 | C19H13BrN4O3S | ACID | Details |
| B138634 | CHEMBL4461163 | -- | -- | 493.39 | C27H22Cl2N2O3 | NEUTRAL | Details |
| B138635 | CHEMBL4461321 | -- | -- | 397.87 | C20H20ClN5O2 | NEUTRAL | Details |
| B138636 | CHEMBL4461394 | -- | -- | 257.77 | C6H12ClN3O2S2 | NEUTRAL | Details |
| B138637 | CHEMBL4461411 | -- | -- | 561.44 | C24H21F6N3O6 | BASE | Details |
| B138638 | CHEMBL4461466 | -- | -- | 411.94 | C17H18ClN3O3S2 | NEUTRAL | Details |
| B138639 | CHEMBL4461490 | -- | -- | 429.48 | C25H23N3O4 | ACID | Details |
| B138640 | CHEMBL4461571 | -- | -- | 500.56 | C27H21FN4O3S | ACID | Details |
| B138641 | CHEMBL4461627 | -- | -- | 341.45 | C21H27NO3 | NEUTRAL | Details |
| B138642 | CHEMBL4461640 | -- | -- | 516.6 | C32H28N4O3 | NEUTRAL | Details |
| B138643 | CHEMBL4461691 | -- | -- | 342.83 | C19H19ClN2O2 | NEUTRAL | Details |
| B138644 | CHEMBL446177 | Small molecule | -- | 374.54 | C24H35FO2 | NEUTRAL | Details |
| B138645 | CHEMBL446178 | Small molecule | -- | 490.67 | C28H34N4O2S | BASE | Details |
| B138646 | CHEMBL4461789 | -- | -- | 390.96 | C19H19ClN2OS2 | NEUTRAL | Details |
| B138647 | CHEMBL44618 | Small molecule | CHLOROFORM | 119.38 | CHCl3 | None | Details |
| B138648 | CHEMBL446187 | Small molecule | -- | 652.92 | C36H48N2O5S2 | NEUTRAL | Details |
| B138649 | CHEMBL4461949 | -- | -- | 438.91 | C24H23ClN2O4 | ACID | Details |
| B138650 | CHEMBL4462086 | -- | -- | 333.82 | C16H20ClN5O | NEUTRAL | Details |
| B138651 | CHEMBL4462097 | -- | -- | 398.48 | C22H22O5S | NEUTRAL | Details |
| B138652 | CHEMBL4462202 | -- | -- | 453.03 | C24H21ClN2OS2 | NEUTRAL | Details |
| B138653 | CHEMBL4462230 | -- | -- | 349.39 | C19H19N5O2 | NEUTRAL | Details |
| B138654 | CHEMBL4462300 | -- | -- | 342.75 | C15H16ClFN2O4 | NEUTRAL | Details |
| B138655 | CHEMBL4462318 | -- | -- | 616.66 | C30H31F3N4O5S | ACID | Details |
| B138656 | CHEMBL4462326 | -- | -- | 447.84 | C22H17ClF3N3O2 | BASE | Details |
| B138657 | CHEMBL4462366 | -- | -- | 1661.9 | C83H104N24O14 | None | Details |
| B138658 | CHEMBL4462401 | -- | -- | 407.5 | C22H21N3O3S | NEUTRAL | Details |
| B138659 | CHEMBL4462429 | -- | -- | 356.4 | C18H16N2O4S | ACID | Details |
| B138660 | CHEMBL4462499 | -- | -- | 360.46 | C17H16N2O3S2 | NEUTRAL | Details |
| B138661 | CHEMBL4462515 | -- | -- | 576.13 | C31H42ClNO7 | NEUTRAL | Details |
| B138662 | CHEMBL4462615 | -- | -- | 277.71 | C13H12ClN3O2 | NEUTRAL | Details |
| B138663 | CHEMBL4462669 | -- | -- | 553.71 | C33H39N5O3 | NEUTRAL | Details |
| B138664 | CHEMBL4462805 | -- | -- | 370.84 | C19H19ClN4O2 | NEUTRAL | Details |
| B138665 | CHEMBL4462922 | -- | -- | 506.64 | C30H38N2O5 | NEUTRAL | Details |
| B138666 | CHEMBL4463049 | -- | -- | 494.39 | C20H20F6N4O4 | BASE | Details |
| B138667 | CHEMBL446315 | Small molecule | ERGOCRISTINE | 609.73 | C35H39N5O5 | NEUTRAL | Details |
| B138668 | CHEMBL446317 | Small molecule | -- | 556.78 | C34H52O6 | ACID | Details |
| B138669 | CHEMBL4463196 | -- | -- | 593.73 | C35H39N5O4 | NEUTRAL | Details |
| B138670 | CHEMBL4463203 | -- | -- | 542.15 | C29H36ClN3O3S | ACID | Details |
| B138671 | CHEMBL4463216 | -- | -- | 359.38 | C18H14FNO4S | ACID | Details |
| B138672 | CHEMBL4463254 | -- | -- | 470.69 | C30H46O4 | NEUTRAL | Details |
| B138673 | CHEMBL4463290 | -- | -- | 518.6 | C23H33F3N4O4S | BASE | Details |
| B138674 | CHEMBL4463294 | -- | -- | 360.24 | C15H19Cl2N3O3 | BASE | Details |
| B138675 | CHEMBL4463296 | -- | -- | 373.88 | C16H21ClFN3O2S | BASE | Details |
| B138676 | CHEMBL4463323 | -- | -- | 441.98 | C18H16ClNO4S3 | NEUTRAL | Details |
| B138677 | CHEMBL4463337 | -- | -- | 1434.75 | C73H107N15O15 | None | Details |
| B138678 | CHEMBL4463341 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138679 | CHEMBL4463348 | -- | -- | 683.89 | C38H57N3O8 | BASE | Details |
| B138680 | CHEMBL4463383 | -- | -- | 349.32 | C16H14F3N5O | NEUTRAL | Details |
| B138681 | CHEMBL4463395 | -- | -- | 505.45 | C23H22F3N5O5 | NEUTRAL | Details |
| B138682 | CHEMBL4463403 | -- | -- | 317.77 | C17H16ClNO3 | NEUTRAL | Details |
| B138683 | CHEMBL4463449 | -- | -- | 649.58 | C33H29F6NO6 | ACID | Details |
| B138684 | CHEMBL4463464 | -- | -- | 387.46 | C24H22FN3O | NEUTRAL | Details |
| B138685 | CHEMBL4463562 | -- | -- | 421.5 | C24H27N3O4 | NEUTRAL | Details |
| B138686 | CHEMBL4463568 | -- | -- | 470.46 | C21H18N4O7S | ACID | Details |
| B138687 | CHEMBL4463575 | -- | -- | 570.2 | C31H40ClN3O3S | ACID | Details |
| B138688 | CHEMBL4463602 | -- | -- | 526.59 | C30H30N4O5 | ACID | Details |
| B138689 | CHEMBL4463626 | -- | -- | 300.75 | C15H13ClN4O | NEUTRAL | Details |
| B138690 | CHEMBL446365 | Small molecule | -- | 506.6 | C29H34N2O6 | ACID | Details |
| B138691 | CHEMBL4463798 | -- | -- | 391.4 | C19H15F2NO4S | ACID | Details |
| B138692 | CHEMBL4463828 | -- | -- | 347.41 | C22H21NO3 | ACID | Details |
| B138693 | CHEMBL4463882 | -- | -- | 362.48 | C16H18N4O2S2 | NEUTRAL | Details |
| B138694 | CHEMBL4463957 | -- | -- | 616.72 | C36H36N6O4 | ACID | Details |
| B138695 | CHEMBL4463995 | -- | -- | 445.87 | C20H23ClF3N3O3 | BASE | Details |
| B138696 | CHEMBL4464005 | -- | -- | 337.38 | C19H19N3O3 | ACID | Details |
| B138697 | CHEMBL4464074 | -- | -- | 386.45 | C20H19FN2O3S | NEUTRAL | Details |
| B138698 | CHEMBL4464168 | -- | -- | 365.82 | C19H16ClN5O | NEUTRAL | Details |
| B138699 | CHEMBL4464191 | -- | -- | 542.15 | C29H36ClN3O3S | ACID | Details |
| B138700 | CHEMBL4464270 | -- | -- | 279.34 | C17H17N3O | BASE | Details |