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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3-hydroxy-3-methylglutaryl-coenzyme A reductase1317 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B145216 | CHEMBL726 | Small molecule | FLUPHENAZINE | 437.53 | C22H26F3N3OS | NEUTRAL | Details |
| B145219 | CHEMBL727 | Small molecule | THIOGUANINE | 167.2 | C5H5N5S | NEUTRAL | Details |
| B145221 | CHEMBL728 | Small molecule | PROCHLORPERAZINE | 373.95 | C20H24ClN3S | NEUTRAL | Details |
| B145240 | CHEMBL741 | Small molecule | LAMOTRIGINE | 256.1 | C9H7Cl2N5 | NEUTRAL | Details |
| B145244 | CHEMBL742 | Small molecule | KETAMINE | 237.73 | C13H16ClNO | NEUTRAL | Details |
| B145247 | CHEMBL744 | Small molecule | RILUZOLE | 234.2 | C8H5F3N2OS | NEUTRAL | Details |
| B145257 | CHEMBL74667 | Small molecule | -- | 330.51 | C22H34O2 | NEUTRAL | Details |
| B145261 | CHEMBL748 | Small molecule | PRALIDOXIME CHLORIDE | 172.61 | C7H9ClN2O | NEUTRAL | Details |
| B145264 | CHEMBL75 | Small molecule | -- | 531.44 | C26H28Cl2N4O4 | NEUTRAL | Details |
| B145271 | CHEMBL75435 | Small molecule | DEXKETOPROFEN | 254.29 | C16H14O3 | ACID | Details |
| B145275 | CHEMBL7568 | Small molecule | QUINACRINE | 399.97 | C23H30ClN3O | BASE | Details |
| B145278 | CHEMBL757 | Small molecule | NANDROLONE | 274.4 | C18H26O2 | NEUTRAL | Details |
| B145279 | CHEMBL75880 | Small molecule | PERHEXILINE | 277.5 | C19H35N | BASE | Details |
| B145286 | CHEMBL762 | Small molecule | OXYMETAZOLINE | 260.38 | C16H24N2O | BASE | Details |
| B145292 | CHEMBL765 | Small molecule | GUANETHIDINE | 198.31 | C10H22N4 | BASE | Details |
| B145298 | CHEMBL768 | Small molecule | ESMOLOL | 295.38 | C16H25NO4 | BASE | Details |
| B145302 | CHEMBL76904 | Small molecule | TYRPHOSTIN 23 | 186.17 | C10H6N2O2 | NEUTRAL | Details |
| B145311 | CHEMBL772 | Small molecule | RESERPINE | 608.69 | C33H40N2O9 | NEUTRAL | Details |
| B145316 | CHEMBL773 | Small molecule | GLYCINE | 75.07 | C2H5NO2 | ZWITTERION | Details |
| B145317 | CHEMBL77327 | Small molecule | -- | 332.53 | C22H36O2 | NEUTRAL | Details |
| B145328 | CHEMBL77675 | Small molecule | -- | 211.27 | C13H13N3 | BASE | Details |
| B145331 | CHEMBL77848 | Small molecule | -- | 332.53 | C22H36O2 | NEUTRAL | Details |
| B145339 | CHEMBL783 | Small molecule | NATEGLINIDE | 317.43 | C19H27NO3 | ACID | Details |
| B145340 | CHEMBL78334 | Small molecule | -- | 338.53 | C21H38O3 | NEUTRAL | Details |
| B145348 | CHEMBL787 | Small molecule | MONTELUKAST | 586.2 | C35H36ClNO3S | ACID | Details |
| B145350 | CHEMBL788 | Small molecule | IDOXURIDINE | 354.1 | C9H11IN2O5 | NEUTRAL | Details |
| B145352 | CHEMBL79 | Small molecule | LIDOCAINE | 234.34 | C14H22N2O | NEUTRAL | Details |
| B145377 | CHEMBL799 | Small molecule | CILOSTAZOL | 369.47 | C20H27N5O2 | NEUTRAL | Details |
| B145381 | CHEMBL8 | Small molecule | CIPROFLOXACIN | 331.35 | C17H18FN3O3 | ZWITTERION | Details |
| B145382 | CHEMBL80 | Small molecule | NALOXONE | 327.38 | C19H21NO4 | NEUTRAL | Details |
| B145386 | CHEMBL802 | Small molecule | MINOXIDIL | 209.25 | C9H15N5O | NEUTRAL | Details |
| B145388 | CHEMBL803 | Small molecule | CYTARABINE | 243.22 | C9H13N3O5 | NEUTRAL | Details |
| B145393 | CHEMBL806 | Small molecule | FLUTAMIDE | 276.21 | C11H11F3N2O3 | NEUTRAL | Details |
| B145403 | CHEMBL808 | Small molecule | ECONAZOLE | 381.69 | C18H15Cl3N2O | NEUTRAL | Details |
| B145406 | CHEMBL809 | Small molecule | SERTRALINE | 306.24 | C17H17Cl2N | BASE | Details |
| B145410 | CHEMBL81 | Small molecule | RALOXIFENE | 473.59 | C28H27NO4S | NEUTRAL | Details |
| B145428 | CHEMBL817 | Small molecule | TOLAZAMIDE | 311.41 | C14H21N3O3S | ACID | Details |
| B145434 | CHEMBL81977 | Small molecule | 3-AMINOBENZAMIDE | 136.15 | C7H8N2O | NEUTRAL | Details |
| B145436 | CHEMBL820 | Small molecule | BUSULFAN | 246.31 | C6H14O6S2 | None | Details |
| B145442 | CHEMBL822 | Small molecule | TERBINAFINE | 291.44 | C21H25N | BASE | Details |
| B145449 | CHEMBL826 | Small molecule | ENOXACIN | 320.32 | C15H17FN4O3 | ZWITTERION | Details |
| B145453 | CHEMBL828 | Small molecule | PHENOTHIAZINE | 199.28 | C12H9NS | NEUTRAL | Details |
| B145460 | CHEMBL83 | Small molecule | TAMOXIFEN | 371.52 | C26H29NO | BASE | Details |
| B145468 | CHEMBL832 | Small molecule | SULFINPYRAZONE | 404.49 | C23H20N2O3S | ACID | Details |
| B145471 | CHEMBL833 | Small molecule | TICLOPIDINE | 263.79 | C14H14ClNS | NEUTRAL | Details |
| B145480 | CHEMBL83668 | Small molecule | TOLNAFTATE | 307.42 | C19H17NOS | NEUTRAL | Details |
| B145486 | CHEMBL838 | Small molecule | BENAZEPRIL | 424.5 | C24H28N2O5 | ACID | Details |
| B145497 | CHEMBL84 | Small molecule | TOPOTECAN | 421.45 | C23H23N3O5 | BASE | Details |
| B145499 | CHEMBL841 | Small molecule | LOPERAMIDE | 477.05 | C29H33ClN2O2 | BASE | Details |
| B145501 | CHEMBL84158 | Small molecule | TIAPRIDE | 328.43 | C15H24N2O4S | NEUTRAL | Details |
| B145510 | CHEMBL844 | Small molecule | BRIMONIDINE | 292.14 | C11H10BrN5 | NEUTRAL | Details |
| B145519 | CHEMBL85 | Small molecule | RISPERIDONE | 410.49 | C23H27FN4O2 | BASE | Details |
| B145520 | CHEMBL850 | Small molecule | SPARFLOXACIN | 392.41 | C19H22F2N4O3 | ZWITTERION | Details |
| B145523 | CHEMBL852 | Small molecule | MELPHALAN | 305.21 | C13H18Cl2N2O2 | ZWITTERION | Details |
| B145527 | CHEMBL856 | Small molecule | PRIMIDONE | 218.26 | C12H14N2O2 | NEUTRAL | Details |
| B145528 | CHEMBL85728 | Small molecule | 4,4'-METHYLENEDIANILINE | 198.27 | C13H14N2 | NEUTRAL | Details |
| B145532 | CHEMBL86 | Small molecule | METOCLOPRAMIDE | 299.8 | C14H22ClN3O2 | BASE | Details |
| B145534 | CHEMBL862 | Small molecule | GUANFACINE | 246.1 | C9H9Cl2N3O | BASE | Details |
| B145535 | CHEMBL86304 | Small molecule | MOCLOBEMIDE | 268.74 | C13H17ClN2O2 | NEUTRAL | Details |
| B145538 | CHEMBL865 | Small molecule | VALDECOXIB | 314.37 | C16H14N2O3S | NEUTRAL | Details |
| B145540 | CHEMBL8659 | Small molecule | OLEIC ACID | 282.47 | C18H34O2 | ACID | Details |
| B145541 | CHEMBL866 | Small molecule | MYCOPHENOLIC ACID | 320.34 | C17H20O6 | ACID | Details |
| B145545 | CHEMBL86754 | Small molecule | IODOQUINOL | 396.95 | C9H5I2NO | NEUTRAL | Details |
| B145553 | CHEMBL870 | Small molecule | ALENDRONIC ACID | 249.1 | C4H13NO7P2 | ZWITTERION | Details |
| B145555 | CHEMBL871 | Small molecule | ETIDRONIC ACID | 206.03 | C2H8O7P2 | ACID | Details |
| B145559 | CHEMBL87285 | Small molecule | ANDROSTERONE | 290.45 | C19H30O2 | NEUTRAL | Details |
| B145567 | CHEMBL877 | Small molecule | TRANEXAMIC ACID | 157.21 | C8H15NO2 | ZWITTERION | Details |
| B145568 | CHEMBL878 | Small molecule | METOLAZONE | 365.84 | C16H16ClN3O3S | NEUTRAL | Details |
| B145570 | CHEMBL88 | Small molecule | CYCLOPHOSPHAMIDE | 261.09 | C7H15Cl2N2O2P | NEUTRAL | Details |
| B145571 | CHEMBL880 | Small molecule | FAMCICLOVIR | 321.34 | C14H19N5O4 | NEUTRAL | Details |
| B145595 | CHEMBL888 | Small molecule | GEMCITABINE | 263.2 | C9H11F2N3O4 | NEUTRAL | Details |
| B145607 | CHEMBL891 | Small molecule | CLOXACILLIN | 435.89 | C19H18ClN3O5S | ACID | Details |
| B145615 | CHEMBL894 | Small molecule | BUPROPION | 239.75 | C13H18ClNO | NEUTRAL | Details |
| B145618 | CHEMBL895 | Small molecule | NALBUPHINE | 357.45 | C21H27NO4 | BASE | Details |
| B145620 | CHEMBL897 | Small molecule | PROBENECID | 285.36 | C13H19NO4S | ACID | Details |
| B145623 | CHEMBL898 | Small molecule | DIFLUNISAL | 250.2 | C13H8F2O3 | ACID | Details |
| B145630 | CHEMBL9 | Small molecule | NORFLOXACIN | 319.34 | C16H18FN3O3 | ZWITTERION | Details |
| B145631 | CHEMBL900 | Small molecule | ORPHENADRINE | 269.39 | C18H23NO | BASE | Details |
| B145643 | CHEMBL902 | Small molecule | FAMOTIDINE | 337.46 | C8H15N7O2S3 | NEUTRAL | Details |
| B145656 | CHEMBL90555 | Small molecule | VINCRISTINE | 824.97 | C46H56N4O10 | BASE | Details |
| B145683 | CHEMBL91 | Small molecule | MICONAZOLE | 416.14 | C18H14Cl4N2O | NEUTRAL | Details |
| B145703 | CHEMBL914 | Small molecule | FEXOFENADINE | 501.67 | C32H39NO4 | ZWITTERION | Details |
| B145713 | CHEMBL917 | Small molecule | FLOXURIDINE | 246.19 | C9H11FN2O5 | NEUTRAL | Details |
| B145717 | CHEMBL918 | Small molecule | PHENACEMIDE | 178.19 | C9H10N2O2 | NEUTRAL | Details |
| B145733 | CHEMBL923 | Small molecule | RISEDRONIC ACID | 283.11 | C7H11NO7P2 | ACID | Details |
| B145737 | CHEMBL92401 | Small molecule | IPRONIAZID | 179.22 | C9H13N3O | NEUTRAL | Details |
| B145744 | CHEMBL926 | Small molecule | DOBUTAMINE | 301.39 | C18H23NO3 | BASE | Details |
| B145752 | CHEMBL93 | Small molecule | ZILEUTON | 236.3 | C11H12N2O2S | NEUTRAL | Details |
| B145760 | CHEMBL932 | Small molecule | DIPYRIDAMOLE | 504.64 | C24H40N8O4 | NEUTRAL | Details |
| B145765 | CHEMBL934 | Small molecule | METYRAPONE | 226.28 | C14H14N2O | NEUTRAL | Details |
| B145772 | CHEMBL936 | Small molecule | DIPHENIDOL | 309.45 | C21H27NO | BASE | Details |
| B145775 | CHEMBL93645 | Small molecule | ACECLOFENAC | 354.19 | C16H13Cl2NO4 | ACID | Details |
| B145784 | CHEMBL94 | Small molecule | PHYSOSTIGMINE | 275.35 | C15H21N3O2 | NEUTRAL | Details |
| B145785 | CHEMBL940 | Small molecule | GABAPENTIN | 171.24 | C9H17NO2 | ZWITTERION | Details |
| B145790 | CHEMBL941 | Small molecule | IMATINIB | 493.62 | C29H31N7O | NEUTRAL | Details |
| B145794 | CHEMBL9419 | Small molecule | METACETAMOL | 151.16 | C8H9NO2 | NEUTRAL | Details |
| B145795 | CHEMBL942 | Small molecule | BISACODYL | 361.4 | C22H19NO4 | NEUTRAL | Details |
| B145800 | CHEMBL945 | Small molecule | AMILORIDE | 229.63 | C6H8ClN7O | NEUTRAL | Details |
| B145806 | CHEMBL95 | Small molecule | TACRINE | 198.27 | C13H14N2 | BASE | Details |
| B145809 | CHEMBL9514 | Small molecule | NOCODAZOLE | 301.33 | C14H11N3O3S | NEUTRAL | Details |