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 | |
|---|---|---|---|---|---|---|---|
| B139701 | CHEMBL4560899 | -- | -- | 252.35 | C15H24O3 | NEUTRAL | Details |
| B139702 | CHEMBL4561004 | -- | -- | 412.89 | C19H21ClO6S | NEUTRAL | Details |
| B139703 | CHEMBL4561006 | -- | -- | 488.42 | C23H19F3N4O5 | ACID | Details |
| B139704 | CHEMBL4561177 | -- | -- | 423.48 | C25H26FNO4 | ACID | Details |
| B139705 | CHEMBL4561366 | -- | -- | 756.9 | C40H52N8O7 | NEUTRAL | Details |
| B139706 | CHEMBL4561516 | -- | -- | 583.58 | C32H29F4NO5 | ACID | Details |
| B139707 | CHEMBL4561618 | -- | -- | 458.33 | C23H21BrFNO3 | NEUTRAL | Details |
| B139708 | CHEMBL4561640 | -- | -- | 355.83 | C18H18ClN5O | NEUTRAL | Details |
| B139709 | CHEMBL4561692 | -- | -- | 462.53 | C21H26N4O6S | NEUTRAL | Details |
| B139710 | CHEMBL4561768 | -- | -- | 335.37 | C18H17N5O2 | NEUTRAL | Details |
| B139711 | CHEMBL4561769 | -- | -- | 946.08 | C45H63N13O10 | ZWITTERION | Details |
| B139712 | CHEMBL4561806 | -- | BTZO-4 | 242.3 | C13H10N2OS | NEUTRAL | Details |
| B139713 | CHEMBL4562149 | -- | -- | 400.9 | C18H22ClFN2O3S | BASE | Details |
| B139714 | CHEMBL4562179 | -- | -- | 252.28 | C14H12N4O | BASE | Details |
| B139715 | CHEMBL456224 | Small molecule | -- | 505.7 | C31H43N3O3 | BASE | Details |
| B139716 | CHEMBL456226 | Small molecule | -- | 543.67 | C31H40F3N3O2 | BASE | Details |
| B139717 | CHEMBL4562269 | -- | -- | 367.38 | C19H18FN5O2 | NEUTRAL | Details |
| B139718 | CHEMBL4562270 | -- | -- | 940.12 | C44H69N13O10 | ZWITTERION | Details |
| B139719 | CHEMBL4562285 | -- | -- | 436.9 | C24H21ClN2O4 | NEUTRAL | Details |
| B139720 | CHEMBL456230 | Small molecule | -- | 551.58 | C27H25N3O8S | NEUTRAL | Details |
| B139721 | CHEMBL456237 | Small molecule | LXR-623 | 422.78 | C21H12ClF5N2 | NEUTRAL | Details |
| B139722 | CHEMBL4562404 | -- | -- | 323.4 | C19H21N3O2 | NEUTRAL | Details |
| B139723 | CHEMBL4562405 | -- | -- | 438.92 | C23H23ClN4O3 | NEUTRAL | Details |
| B139724 | CHEMBL45627 | Small molecule | CERULENIN | 223.27 | C12H17NO3 | NEUTRAL | Details |
| B139725 | CHEMBL4562847 | -- | -- | 291.74 | C14H14ClN3O2 | NEUTRAL | Details |
| B139726 | CHEMBL4562865 | -- | -- | 496.39 | C27H23Cl2NO4 | NEUTRAL | Details |
| B139727 | CHEMBL4562979 | -- | -- | 496.54 | C29H25FN4O3 | ACID | Details |
| B139728 | CHEMBL4563012 | -- | -- | 509.05 | C24H30ClFN4O3S | BASE | Details |
| B139729 | CHEMBL4563315 | -- | -- | 325.85 | C13H12ClN3OS2 | NEUTRAL | Details |
| B139730 | CHEMBL4563335 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |
| B139731 | CHEMBL456355 | Small molecule | -- | 539.66 | C32H39F2NO4 | ACID | Details |
| B139732 | CHEMBL4563566 | -- | -- | 454.86 | C16H18ClF3N4O4S | BASE | Details |
| B139733 | CHEMBL4563676 | -- | -- | 443.5 | C26H25N3O4 | NEUTRAL | Details |
| B139734 | CHEMBL4563725 | -- | -- | 417.82 | C18H19ClF3N3O3 | BASE | Details |
| B139735 | CHEMBL4563795 | -- | -- | 467.32 | C18H15F6N3O5 | BASE | Details |
| B139736 | CHEMBL456402 | Small molecule | -- | 522.18 | C32H44ClN3O | NEUTRAL | Details |
| B139737 | CHEMBL456403 | Small molecule | -- | 556.62 | C32H43Cl2N3O | NEUTRAL | Details |
| B139738 | CHEMBL4564074 | -- | -- | 358.49 | C18H18N2O2S2 | NEUTRAL | Details |
| B139739 | CHEMBL4564094 | -- | -- | 782.95 | C37H58N12O7 | BASE | Details |
| B139740 | CHEMBL4564126 | -- | TP-008 | 411.82 | C20H15ClFN5O2 | NEUTRAL | Details |
| B139741 | CHEMBL456425 | Small molecule | -- | 503.73 | C32H45N3O2 | BASE | Details |
| B139742 | CHEMBL4564264 | -- | -- | 422.87 | C23H19ClN2O4 | NEUTRAL | Details |
| B139743 | CHEMBL4564312 | -- | BAY-786 | 672.12 | C29H26ClF4N3O5S2 | NEUTRAL | Details |
| B139744 | CHEMBL4564337 | -- | -- | 358.2 | C16H12BrN3O2 | NEUTRAL | Details |
| B139745 | CHEMBL4564429 | -- | -- | 337.38 | C20H19NO4 | NEUTRAL | Details |
| B139746 | CHEMBL4564494 | -- | -- | 724.94 | C40H60N4O8 | BASE | Details |
| B139747 | CHEMBL4564517 | -- | -- | 421.57 | C19H19NO4S3 | NEUTRAL | Details |
| B139748 | CHEMBL4564535 | -- | -- | 569.55 | C31H27F4NO5 | ACID | Details |
| B139749 | CHEMBL4564617 | -- | -- | 971.09 | C43H66N14O12 | ZWITTERION | Details |
| B139750 | CHEMBL4564731 | -- | -- | 351.38 | C21H18FNO3 | ACID | Details |
| B139751 | CHEMBL4564891 | -- | -- | 337.42 | C20H23N3O2 | BASE | Details |
| B139752 | CHEMBL4564910 | -- | -- | 227.06 | C7H7BrN4 | NEUTRAL | Details |
| B139753 | CHEMBL4564950 | -- | -- | 976.11 | C46H65N13O11 | ZWITTERION | Details |
| B139754 | CHEMBL4564973 | -- | -- | 544.64 | C29H33FN8O2 | NEUTRAL | Details |
| B139755 | CHEMBL4565083 | -- | -- | 390.5 | C21H26O5S | NEUTRAL | Details |
| B139756 | CHEMBL4565229 | -- | -- | 379.81 | C16H21ClF3N3O2 | BASE | Details |
| B139757 | CHEMBL4565242 | -- | -- | 886.97 | C46H55FN6O11 | NEUTRAL | Details |
| B139758 | CHEMBL4565265 | -- | -- | 198.22 | C12H10N2O | BASE | Details |
| B139759 | CHEMBL4565279 | -- | -- | 409.42 | C22H20FN3O4 | NEUTRAL | Details |
| B139760 | CHEMBL456529 | Small molecule | -- | 304.32 | C20H13FO2 | ACID | Details |
| B139761 | CHEMBL456530 | Small molecule | -- | 310.32 | C19H15FO3 | ACID | Details |
| B139762 | CHEMBL456531 | Small molecule | -- | 352.41 | C22H21FO3 | ACID | Details |
| B139763 | CHEMBL4565314 | -- | -- | 420.89 | C22H25ClO6 | NEUTRAL | Details |
| B139764 | CHEMBL4565615 | -- | -- | 349.39 | C19H19N5O2 | NEUTRAL | Details |
| B139765 | CHEMBL4565679 | -- | -- | 241.67 | C11H12ClNO3 | NEUTRAL | Details |
| B139766 | CHEMBL4565733 | -- | -- | 368.87 | C14H13ClN4O2S2 | NEUTRAL | Details |
| B139767 | CHEMBL4565807 | -- | -- | 339.35 | C19H17NO5 | ACID | Details |
| B139768 | CHEMBL456592 | Small molecule | -- | 530.52 | C26H21F3N2O5S | NEUTRAL | Details |
| B139769 | CHEMBL456593 | Small molecule | -- | 502.56 | C25H27FN2O6S | NEUTRAL | Details |
| B139770 | CHEMBL4565942 | -- | -- | 304.4 | C14H12N2O2S2 | NEUTRAL | Details |
| B139771 | CHEMBL4566043 | -- | -- | 620.6 | C33H28F4N4O4 | ACID | Details |
| B139772 | CHEMBL456621 | Small molecule | -- | 494.68 | C32H38N4O | BASE | Details |
| B139773 | CHEMBL4566226 | -- | -- | 321.38 | C20H19NO3 | NEUTRAL | Details |
| B139774 | CHEMBL4566280 | -- | -- | 164.17 | C7H8N4O | NEUTRAL | Details |
| B139775 | CHEMBL4566395 | -- | -- | 481.6 | C30H31N3O3 | ZWITTERION | Details |
| B139776 | CHEMBL4566536 | -- | -- | 488.71 | C30H48O5 | NEUTRAL | Details |
| B139777 | CHEMBL4566600 | -- | PPTN-NC | 489.54 | C30H26F3NO2 | ZWITTERION | Details |
| B139778 | CHEMBL4566732 | -- | -- | 633.64 | C35H31F4N3O4 | ACID | Details |
| B139779 | CHEMBL456678 | Small molecule | -- | 342.3 | C14H9F3N2O3S | NEUTRAL | Details |
| B139780 | CHEMBL4566817 | -- | -- | 444.33 | C22H22BrNO4 | ACID | Details |
| B139781 | CHEMBL4567103 | -- | -- | 917.12 | C43H72N12O10 | ZWITTERION | Details |
| B139782 | CHEMBL4567133 | -- | -- | 315.38 | C20H17N3O | BASE | Details |
| B139783 | CHEMBL456715 | Small molecule | -- | 513.59 | C30H31N3O5 | NEUTRAL | Details |
| B139784 | CHEMBL4567211 | -- | -- | 558.68 | C32H38N4O5 | ACID | Details |
| B139785 | CHEMBL4567446 | Small molecule | CLESACOSTAT | 502.57 | C28H30N4O5 | ACID | Details |
| B139786 | CHEMBL456752 | Small molecule | -- | 493.62 | C30H36FNO4 | ACID | Details |
| B139787 | CHEMBL4567520 | -- | PF-04875474 | 457.42 | C21H18F3N7O2 | NEUTRAL | Details |
| B139788 | CHEMBL456753 | Small molecule | -- | 493.62 | C30H36FNO4 | ACID | Details |
| B139789 | CHEMBL4567577 | -- | -- | 253.31 | C15H15N3O | BASE | Details |
| B139790 | CHEMBL4567667 | -- | -- | 1052.2 | C52H69N13O11 | None | Details |
| B139791 | CHEMBL456768 | Small molecule | -- | 380.36 | C19H12F4O2S | ACID | Details |
| B139792 | CHEMBL456769 | Small molecule | -- | 332.33 | C20H13FN2O2 | ACID | Details |
| B139793 | CHEMBL4567815 | -- | -- | 324.41 | C17H16N4OS | NEUTRAL | Details |
| B139794 | CHEMBL4567816 | -- | -- | 295.35 | C16H17N5O | NEUTRAL | Details |
| B139795 | CHEMBL4567829 | -- | -- | 470.69 | C30H46O4 | NEUTRAL | Details |
| B139796 | CHEMBL4567866 | -- | -- | 344.3 | C17H13FN2O5 | ACID | Details |
| B139797 | CHEMBL456792 | Small molecule | -- | 481.02 | C25H25ClN4O2S | ACID | Details |
| B139798 | CHEMBL456798 | Small molecule | -- | 513.55 | C24H24FN5O5S | NEUTRAL | Details |
| B139799 | CHEMBL456799 | Small molecule | -- | 549.53 | C24H22F3N5O5S | NEUTRAL | Details |
| B139800 | CHEMBL456807 | Small molecule | PHENYLHYDRAZINE | 108.14 | C6H8N2 | NEUTRAL | Details |