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 | |
|---|---|---|---|---|---|---|---|
| B118632 | CHEMBL311350 | Small molecule | PIROMIDIC ACID | 288.31 | C14H16N4O3 | ACID | Details |
| B118658 | CHEMBL311469 | Small molecule | 2-ACETYLAMINOFLUORENE | 223.27 | C15H13NO | NEUTRAL | Details |
| B118706 | CHEMBL31184 | Small molecule | BENZO[DEF]CHRYSENE | 252.32 | C20H12 | None | Details |
| B118846 | CHEMBL313493 | Small molecule | METHANESULFONIC ACID METHYL ESTER | 110.13 | C2H6O3S | None | Details |
| B119010 | CHEMBL316561 | Small molecule | PROGLUMIDE | 334.42 | C18H26N2O4 | ACID | Details |
| B119016 | CHEMBL317142 | Small molecule | -- | 556.58 | C32H31F2NaO5 | ACID | Details |
| B119021 | CHEMBL317403 | Small molecule | -- | 365.4 | C22H20FNO3 | NEUTRAL | Details |
| B119029 | CHEMBL317777 | Small molecule | -- | 454.51 | C25H32FNaO5 | ACID | Details |
| B119033 | CHEMBL317854 | Small molecule | -- | 329.4 | C19H23NO4 | NEUTRAL | Details |
| B119058 | CHEMBL3183075 | Small molecule | NIZATIDINE | 331.47 | C12H21N5O2S2 | NEUTRAL | Details |
| B119107 | CHEMBL318707 | Small molecule | -- | 400.49 | C24H29FO4 | NEUTRAL | Details |
| B120232 | CHEMBL319244 | Small molecule | CAFFEIC ACID PHENETHYL ESTER | 284.31 | C17H16O4 | NEUTRAL | Details |
| B122327 | CHEMBL319870 | Small molecule | -- | 359.44 | C21H26FNO3 | NEUTRAL | Details |
| B122457 | CHEMBL319905 | Small molecule | -- | 329.4 | C19H23NO4 | NEUTRAL | Details |
| B122754 | CHEMBL320352 | Small molecule | -- | 349.43 | C22H23NO3 | NEUTRAL | Details |
| B123509 | CHEMBL321076 | Small molecule | -- | 901.01 | C45H52F2Na2O10S2 | ACID | Details |
| B124271 | CHEMBL3215298 | Unknown | ABAMECTIN | 1732.15 | C95H142O28 | None | Details |
| B124285 | CHEMBL321713 | Small molecule | -- | 463.28 | C19H23Cl2F2NaO5 | ACID | Details |
| B124288 | CHEMBL321768 | Small molecule | -- | 498.57 | C27H36FNaO6 | ACID | Details |
| B124296 | CHEMBL321930 | Small molecule | -- | 373.47 | C22H28FNO3 | NEUTRAL | Details |
| B124322 | CHEMBL322366 | Small molecule | -- | 371.33 | C18H17F4NO3 | NEUTRAL | Details |
| B124323 | CHEMBL322367 | Small molecule | -- | 385.48 | C23H28FNO3 | NEUTRAL | Details |
| B124330 | CHEMBL322656 | Small molecule | -- | 329.44 | C20H27NO3 | NEUTRAL | Details |
| B124333 | CHEMBL322724 | Small molecule | -- | 361.87 | C20H24ClNO3 | NEUTRAL | Details |
| B124337 | CHEMBL322874 | Small molecule | -- | 365.4 | C22H20FNO3 | NEUTRAL | Details |
| B124343 | CHEMBL323256 | Small molecule | -- | 387.48 | C22H29NO5 | NEUTRAL | Details |
| B124358 | CHEMBL323344 | Small molecule | -- | 500.61 | C27H41NaO7 | ACID | Details |
| B124483 | CHEMBL323880 | Small molecule | -- | 448.53 | C23H37NaO7 | ACID | Details |
| B124507 | CHEMBL325372 | Small molecule | METHYLPARABEN | 152.15 | C8H8O3 | NEUTRAL | Details |
| B124777 | CHEMBL32749 | Small molecule | FERULATE | 194.19 | C10H10O4 | ACID | Details |
| B124861 | CHEMBL329307 | Small molecule | -- | 492.49 | C27H27F2NaO5 | ACID | Details |
| B124937 | CHEMBL33 | Small molecule | LEVOFLOXACIN | 361.37 | C18H20FN3O4 | ACID | Details |
| B124973 | CHEMBL3311217 | Small molecule | -- | 436.68 | C27H48O4 | NEUTRAL | Details |
| B125059 | CHEMBL3318042 | Small molecule | -- | 469.44 | C24H23F3NNaO4 | ACID | Details |
| B125176 | CHEMBL333306 | Small molecule | TRANS-ASARONE | 208.26 | C12H16O3 | NEUTRAL | Details |
| B125180 | CHEMBL333443 | Small molecule | -- | 404.55 | C24H36O5 | NEUTRAL | Details |
| B125294 | CHEMBL333760 | Small molecule | -- | 456.49 | C25H26F2N2O4 | ACID | Details |
| B125370 | CHEMBL334255 | Small molecule | CETYLPYRIDINIUM BROMIDE | 384.45 | C21H38BrN | NEUTRAL | Details |
| B125377 | CHEMBL3344536 | Small molecule | -- | 210.23 | C11H14O4 | NEUTRAL | Details |
| B125378 | CHEMBL3344540 | Small molecule | -- | 282.29 | C14H18O6 | NEUTRAL | Details |
| B125386 | CHEMBL3349544 | Small molecule | -- | 418.57 | C25H38O5 | NEUTRAL | Details |
| B125387 | CHEMBL3349824 | Small molecule | -- | 434.57 | C25H38O6 | NEUTRAL | Details |
| B125388 | CHEMBL3349825 | Small molecule | -- | 524.7 | C32H44O6 | NEUTRAL | Details |
| B125389 | CHEMBL3349827 | Small molecule | -- | 462.63 | C27H42O6 | NEUTRAL | Details |
| B125390 | CHEMBL3349828 | Small molecule | -- | 448.6 | C26H40O6 | NEUTRAL | Details |
| B125391 | CHEMBL3350037 | Small molecule | -- | 1019.26 | C49H66N10O10S2 | None | Details |
| B125673 | CHEMBL338790 | Small molecule | -- | 212.21 | C12H8N2O2 | NEUTRAL | Details |
| B126037 | CHEMBL340978 | Small molecule | BENOXAPROFEN | 301.73 | C16H12ClNO3 | ACID | Details |
| B126053 | CHEMBL34139 | Small molecule | GENACONAZOLE | 331.34 | C13H15F2N3O3S | NEUTRAL | Details |
| B126122 | CHEMBL34259 | Small molecule | METHOTREXATE | 454.45 | C20H22N8O5 | ACID | Details |
| B126176 | CHEMBL34431 | Small molecule | CILOSTAMIDE | 342.44 | C20H26N2O3 | NEUTRAL | Details |
| B126189 | CHEMBL345375 | Small molecule | -- | 397.42 | C21H25FNNaO4 | ACID | Details |
| B126190 | CHEMBL345478 | Small molecule | -- | 410.64 | C28H42O2 | NEUTRAL | Details |
| B126195 | CHEMBL345758 | Small molecule | -- | 164.2 | C10H12O2 | NEUTRAL | Details |
| B126199 | CHEMBL346377 | Small molecule | -- | 424.67 | C29H44O2 | NEUTRAL | Details |
| B126222 | CHEMBL348798 | Small molecule | -- | 427.49 | C23H31FNNaO4 | ACID | Details |
| B126227 | CHEMBL35 | Small molecule | FUROSEMIDE | 330.75 | C12H11ClN2O5S | ACID | Details |
| B126242 | CHEMBL3527165 | Small molecule | -- | 311.43 | C19H25N3O | NEUTRAL | Details |
| B126282 | CHEMBL3545252 | Small molecule | DOCETAXEL | 861.94 | C43H59NO17 | NEUTRAL | Details |
| B126312 | CHEMBL355933 | Small molecule | -- | 314.47 | C21H30O2 | NEUTRAL | Details |
| B126313 | CHEMBL3559671 | Small molecule | POLYVINYL ALCOHOL | -- | -- | -- | Details |
| B126331 | CHEMBL357082 | Small molecule | -- | 407.6 | C27H37NO2 | NEUTRAL | Details |
| B126373 | CHEMBL357945 | Small molecule | -- | 380.57 | C26H36O2 | NEUTRAL | Details |
| B126375 | CHEMBL357995 | Small molecule | BOPINDOLOL | 380.49 | C23H28N2O3 | BASE | Details |
| B126384 | CHEMBL358217 | Small molecule | -- | 314.47 | C21H30O2 | NEUTRAL | Details |
| B126405 | CHEMBL358612 | Small molecule | -- | 438.7 | C30H46O2 | NEUTRAL | Details |
| B126406 | CHEMBL358614 | Small molecule | -- | 366.59 | C26H38O | NEUTRAL | Details |
| B126414 | CHEMBL358888 | Small molecule | -- | 424.58 | C27H36O4 | NEUTRAL | Details |
| B127397 | CHEMBL364713 | Small molecule | NOSCAPINE | 413.43 | C22H23NO7 | NEUTRAL | Details |
| B128898 | CHEMBL36715 | Small molecule | PIRACETAM | 142.16 | C6H10N2O2 | NEUTRAL | Details |
| B128970 | CHEMBL3677707 | Small molecule | -- | 611.78 | C33H42FN3O5S | NEUTRAL | Details |
| B128971 | CHEMBL3677708 | Small molecule | -- | 595.74 | C32H38FN3O5S | NEUTRAL | Details |
| B128972 | CHEMBL3677709 | Small molecule | -- | 687.06 | C31H35Cl3FN3O5S | NEUTRAL | Details |
| B129323 | CHEMBL3684074 | Small molecule | -- | 569.7 | C30H36FN3O5S | NEUTRAL | Details |
| B130782 | CHEMBL36994 | Small molecule | ANIRACETAM | 219.24 | C12H13NO3 | NEUTRAL | Details |
| B131108 | CHEMBL3704922 | Small molecule | -- | 577.84 | C34H47NO5Si | None | Details |
| B131109 | CHEMBL3704923 | Small molecule | -- | 591.87 | C35H49NO5Si | None | Details |
| B131162 | CHEMBL37161 | Small molecule | FENBENDAZOLE | 299.36 | C15H13N3O2S | NEUTRAL | Details |
| B131239 | CHEMBL372795 | Small molecule | STREPTOMYCIN | 581.58 | C21H39N7O12 | BASE | Details |
| B131858 | CHEMBL374478 | Small molecule | RIFAMPIN | 822.95 | C43H58N4O12 | NEUTRAL | Details |
| B132025 | CHEMBL376180 | Small molecule | AMINOPTERIN | 440.42 | C19H20N8O5 | ACID | Details |
| B132219 | CHEMBL37858 | Small molecule | SARAFLOXACIN | 385.37 | C20H17F2N3O3 | ZWITTERION | Details |
| B132343 | CHEMBL38 | Small molecule | TRETINOIN | 300.44 | C20H28O2 | ACID | Details |
| B132635 | CHEMBL384467 | Small molecule | DEXAMETHASONE | 392.47 | C22H29FO5 | NEUTRAL | Details |
| B132669 | CHEMBL386630 | Small molecule | TESTOSTERONE | 288.43 | C19H28O2 | NEUTRAL | Details |
| B132685 | CHEMBL38737 | Small molecule | THIOACETAMIDE | 75.14 | C2H5NS | ZWITTERION | Details |
| B132690 | CHEMBL387514 | Small molecule | -- | 558.63 | C31H36FN2NaO5 | ACID | Details |
| B132725 | CHEMBL388590 | Small molecule | BENZBROMARONE | 424.09 | C17H12Br2O3 | ACID | Details |
| B132743 | CHEMBL389002 | Small molecule | -- | 576.64 | C33H34F2N2O5 | ACID | Details |
| B132778 | CHEMBL389216 | Small molecule | -- | 613.06 | C33H31ClFN2NaO5 | ACID | Details |
| B132779 | CHEMBL389217 | Small molecule | -- | 596.61 | C33H31F2N2NaO5 | ACID | Details |
| B132831 | CHEMBL389441 | Small molecule | -- | 592.64 | C34H34FN2NaO5 | ACID | Details |
| B132832 | CHEMBL389442 | Small molecule | -- | 610.63 | C34H33F2N2NaO5 | ACID | Details |
| B132834 | CHEMBL389443 | Small molecule | -- | 610.63 | C34H33F2N2NaO5 | ACID | Details |
| B132865 | CHEMBL389621 | Small molecule | HYDROCORTISONE | 362.47 | C21H30O5 | NEUTRAL | Details |
| B132875 | CHEMBL3896765 | Small molecule | -- | 596.94 | C24H29Cl3FN3O5S | NEUTRAL | Details |
| B133031 | CHEMBL3906659 | Small molecule | -- | 601.7 | C30H36FN3O7S | NEUTRAL | Details |
| B133087 | CHEMBL391002 | Small molecule | -- | 586.7 | C35H39FN2O5 | ACID | Details |
| B133093 | CHEMBL39102 | Small molecule | -- | 447.25 | C19H21Cl2O6P | ACID | Details |
| B133214 | CHEMBL3916495 | Small molecule | -- | 504.62 | C28H40O8 | NEUTRAL | Details |