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 | |
|---|---|---|---|---|---|---|---|
| B137660 | CHEMBL429023 | Small molecule | ROTENONE | 394.42 | C23H22O6 | NEUTRAL | Details |
| B137797 | CHEMBL430472 | Small molecule | -- | 363.4 | C20H23F2NO3 | NEUTRAL | Details |
| B137799 | CHEMBL43064 | Small molecule | CINNARIZINE | 368.52 | C26H28N2 | NEUTRAL | Details |
| B137814 | CHEMBL431293 | Small molecule | -- | 517.6 | C28H29FNNaO4S | ACID | Details |
| B137815 | CHEMBL431303 | Small molecule | -- | 551.59 | C31H31FN3NaO4 | ACID | Details |
| B137844 | CHEMBL433257 | Small molecule | HARRINGTONINE | 531.6 | C28H37NO9 | BASE | Details |
| B137851 | CHEMBL433512 | Small molecule | -- | 426.69 | C29H46O2 | NEUTRAL | Details |
| B137864 | CHEMBL434 | Small molecule | ISOPROTERENOL | 211.26 | C11H17NO3 | BASE | Details |
| B137866 | CHEMBL434063 | Small molecule | -- | 495.58 | C30H29N3O4 | ACID | Details |
| B137882 | CHEMBL435 | Small molecule | HYDROCHLOROTHIAZIDE | 297.75 | C7H8ClN3O4S2 | NEUTRAL | Details |
| B137886 | CHEMBL435224 | Small molecule | LAPAQUISTAT ACETATE | 645.15 | C33H41ClN2O9 | ACID | Details |
| B137935 | CHEMBL437 | Small molecule | SULFATHIAZOLE | 255.32 | C9H9N3O2S2 | NEUTRAL | Details |
| B137936 | CHEMBL437002 | Small molecule | -- | 297.37 | C19H20FNO | NEUTRAL | Details |
| B137951 | CHEMBL437774 | Small molecule | -- | 624.64 | C34H34FN2NaO7 | ACID | Details |
| B137954 | CHEMBL438 | Small molecule | SULFAMERAZINE | 264.31 | C11H12N4O2S | NEUTRAL | Details |
| B137967 | CHEMBL438662 | Small molecule | -- | 578.62 | C33H32FN2NaO5 | ACID | Details |
| B137968 | CHEMBL438694 | Small molecule | -- | 504.53 | C27H30FN2NaO5 | ACID | Details |
| B137971 | CHEMBL43882 | Small molecule | TRICHLOROETHANE | 133.41 | C2H3Cl3 | None | Details |
| B137974 | CHEMBL439 | Small molecule | SULFADIAZINE | 250.28 | C10H10N4O2S | NEUTRAL | Details |
| B137991 | CHEMBL44 | Small molecule | GENISTEIN | 270.24 | C15H10O5 | NEUTRAL | Details |
| B138021 | CHEMBL441687 | Small molecule | GLYCYRRHIZIN | 822.94 | C42H62O16 | ACID | Details |
| B138026 | CHEMBL442 | Small molecule | ERGOTAMINE | 581.67 | C33H35N5O5 | NEUTRAL | Details |
| B138047 | CHEMBL443 | Small molecule | SULFAMETHOXAZOLE | 253.28 | C10H11N3O3S | ACID | Details |
| B138223 | CHEMBL444210 | Small molecule | -- | 591.66 | C33H35F2N3O5 | ACID | Details |
| B138303 | CHEMBL444633 | Small molecule | RIFABUTIN | 847.02 | C46H62N4O11 | NEUTRAL | Details |
| B138389 | CHEMBL445 | Small molecule | NORTRIPTYLINE | 263.38 | C19H21N | BASE | Details |
| B138434 | CHEMBL445206 | Small molecule | ISOEUGENOL | 164.2 | C10H12O2 | NEUTRAL | Details |
| B138515 | CHEMBL4455828 | -- | -- | 927.04 | C49H59FN6O11 | NEUTRAL | Details |
| B138609 | CHEMBL446 | Small molecule | SULFAMETHAZINE | 278.34 | C12H14N4O2S | NEUTRAL | Details |
| B138647 | CHEMBL44618 | Small molecule | CHLOROFORM | 119.38 | CHCl3 | None | Details |
| B138730 | CHEMBL44657 | Small molecule | ETOPOSIDE | 588.56 | C29H32O13 | NEUTRAL | Details |
| B138808 | CHEMBL447 | Small molecule | SECOBARBITAL | 238.29 | C12H18N2O3 | NEUTRAL | Details |
| B138941 | CHEMBL44814 | Small molecule | CARBON TETRACHLORIDE | 153.82 | CCl4 | None | Details |
| B138963 | CHEMBL448462 | Small molecule | -- | 292.42 | C18H28O3 | ACID | Details |
| B138973 | CHEMBL44884 | Small molecule | ETHAMBUTOL | 204.31 | C10H24N2O2 | BASE | Details |
| B138996 | CHEMBL45 | Small molecule | MELATONIN | 232.28 | C13H16N2O2 | NEUTRAL | Details |
| B139015 | CHEMBL450895 | Small molecule | NYSTATIN | 926.11 | C47H75NO17 | ZWITTERION | Details |
| B139017 | CHEMBL451 | Small molecule | CHLORDIAZEPOXIDE | 299.76 | C16H14ClN3O | ACID | Details |
| B139142 | CHEMBL452 | Small molecule | CLONAZEPAM | 315.72 | C15H10ClN3O3 | NEUTRAL | Details |
| B139161 | CHEMBL452139 | Small molecule | -- | 603.71 | C30H38FN3O7S | ACID | Details |
| B139195 | CHEMBL45245 | Small molecule | -- | 195.22 | C13H9NO | NEUTRAL | Details |
| B139238 | CHEMBL452861 | Small molecule | (-)-PROPANOLOL | 259.35 | C16H21NO2 | BASE | Details |
| B139264 | CHEMBL453 | Small molecule | SULFISOXAZOLE | 267.31 | C11H13N3O3S | ACID | Details |
| B139372 | CHEMBL4537788 | -- | BAY-784 | 672.12 | C29H26ClF4N3O5S2 | NEUTRAL | Details |
| B139613 | CHEMBL455524 | Small molecule | -- | 588.63 | C33H33FN2O7 | ACID | Details |
| B139684 | CHEMBL456 | Small molecule | ETHACRYNIC ACID | 303.14 | C13H12Cl2O4 | ACID | Details |
| B139757 | CHEMBL4565242 | -- | -- | 886.97 | C46H55FN6O11 | NEUTRAL | Details |
| B139800 | CHEMBL456807 | Small molecule | PHENYLHYDRAZINE | 108.14 | C6H8N2 | NEUTRAL | Details |
| B139832 | CHEMBL457 | Small molecule | GEMFIBROZIL | 250.34 | C15H22O3 | ACID | Details |
| B139868 | CHEMBL457299 | Small molecule | MACROGOL | 62.07 | C2H6O2 | NEUTRAL | Details |
| B139884 | CHEMBL4574276 | -- | -- | 1286.02 | C78H128N2O8S2 | None | Details |
| B139975 | CHEMBL458019 | Small molecule | PARAQUAT DICHLORIDE | 257.16 | C12H14Cl2N2 | NEUTRAL | Details |
| B140059 | CHEMBL458767 | Small molecule | -- | 504.54 | C24H42O7P2 | NEUTRAL | Details |
| B140090 | CHEMBL459 | Small molecule | METHYLDOPA | 211.22 | C10H13NO4 | ZWITTERION | Details |
| B140169 | CHEMBL46 | Small molecule | ONDANSETRON | 293.37 | C18H19N3O | NEUTRAL | Details |
| B140182 | CHEMBL460291 | Small molecule | LACIDIPINE | 455.55 | C26H33NO6 | NEUTRAL | Details |
| B140187 | CHEMBL460499 | Small molecule | CARMOFUR | 257.26 | C11H16FN3O3 | NEUTRAL | Details |
| B140220 | CHEMBL461727 | Small molecule | AMYGDALIN | 457.43 | C20H27NO11 | NEUTRAL | Details |
| B140228 | CHEMBL462547 | Small molecule | URETHANE | 89.09 | C3H7NO2 | NEUTRAL | Details |
| B140268 | CHEMBL4634534 | -- | -- | 456.71 | C30H48O3 | NEUTRAL | Details |
| B140348 | CHEMBL4639024 | -- | -- | 562.67 | C28H52O7P2 | NEUTRAL | Details |
| B140363 | CHEMBL46403 | Small molecule | STEARIC ACID | 284.48 | C18H36O2 | ACID | Details |
| B140448 | CHEMBL4645080 | -- | -- | 400.65 | C27H44O2 | NEUTRAL | Details |
| B140495 | CHEMBL4648290 | -- | -- | 414.72 | C29H50O | NEUTRAL | Details |
| B140498 | CHEMBL4648340 | -- | -- | 1159.28 | C61H71FN8O14 | None | Details |
| B140506 | CHEMBL4649026 | -- | -- | 446.72 | C29H50O3 | NEUTRAL | Details |
| B140517 | CHEMBL4649901 | -- | -- | 1495.48 | C55H84BrN17O21S3 | None | Details |
| B140537 | CHEMBL465885 | Small molecule | -- | 670.73 | C34H36F2N2O8S | ACID | Details |
| B140590 | CHEMBL467 | Small molecule | HYDROXYUREA | 76.05 | CH4N2O2 | NEUTRAL | Details |
| B140616 | CHEMBL468 | Small molecule | THALIDOMIDE | 258.23 | C13H10N2O4 | NEUTRAL | Details |
| B140644 | CHEMBL469 | Small molecule | KETOROLAC | 255.27 | C15H13NO3 | ACID | Details |
| B140665 | CHEMBL469912 | Small molecule | PUROMYCIN | 471.52 | C22H29N7O5 | NEUTRAL | Details |
| B140671 | CHEMBL47 | Small molecule | VITAMIN E | 430.72 | C29H50O2 | NEUTRAL | Details |
| B140692 | CHEMBL471 | Small molecule | SOTALOL | 272.37 | C12H20N2O3S | BASE | Details |
| B140712 | CHEMBL471744 | Small molecule | -- | 510.61 | C29H35FN2O5 | ACID | Details |
| B140713 | CHEMBL471745 | Small molecule | -- | 454.5 | C25H27FN2O5 | ACID | Details |
| B140730 | CHEMBL472 | Small molecule | GLYBURIDE | 494.01 | C23H28ClN3O5S | ACID | Details |
| B140741 | CHEMBL47244 | Small molecule | PICROTOXININ | 292.29 | C15H16O6 | NEUTRAL | Details |
| B140833 | CHEMBL4741940 | -- | -- | 488.54 | C24H42O6P2 | None | Details |
| B140984 | CHEMBL4750834 | -- | -- | 557.65 | C28H49NO6P2 | NEUTRAL | Details |
| B141068 | CHEMBL475534 | Small molecule | NITRENDIPINE | 360.37 | C18H20N2O6 | NEUTRAL | Details |
| B141081 | CHEMBL4756373 | -- | -- | 547.65 | C27H51NO6P2 | NEUTRAL | Details |
| B141157 | CHEMBL476 | Small molecule | DACARBAZINE | 182.19 | C6H10N6O | NEUTRAL | Details |
| B141169 | CHEMBL4760244 | -- | -- | 506.56 | C24H44O7P2 | NEUTRAL | Details |
| B141192 | CHEMBL4761385 | -- | -- | 625.73 | C31H53N3O6P2 | NEUTRAL | Details |
| B141237 | CHEMBL4763395 | -- | -- | 514.58 | C26H44O6P2 | NEUTRAL | Details |
| B141253 | CHEMBL4764227 | -- | -- | 448.43 | C20H34O7P2 | NEUTRAL | Details |
| B141263 | CHEMBL4764757 | -- | -- | 616.45 | C24H43IO6P2 | None | Details |
| B141372 | CHEMBL4780829 | -- | -- | 499.49 | C22H35N3O6P2 | NEUTRAL | Details |
| B141383 | CHEMBL4781362 | -- | -- | 531.57 | C24H43N3O6P2 | None | Details |
| B141452 | CHEMBL4785346 | -- | -- | 505.57 | C24H45NO6P2 | ACID | Details |
| B141531 | CHEMBL478969 | Small molecule | LYSOPHOSPHATIDYLCHOLINE | 535.7 | C27H54NO7P | ACID | Details |
| B141538 | CHEMBL479 | Small molecule | THIORIDAZINE | 370.59 | C21H26N2S2 | BASE | Details |
| B141626 | CHEMBL4795318 | -- | -- | 392.33 | C16H26O7P2 | NEUTRAL | Details |
| B141661 | CHEMBL4797059 | -- | -- | 543.62 | C27H47NO6P2 | NEUTRAL | Details |
| B141702 | CHEMBL480 | Small molecule | LANSOPRAZOLE | 369.37 | C16H14F3N3O2S | NEUTRAL | Details |
| B141711 | CHEMBL4800468 | -- | -- | 546.67 | C28H52O6P2 | None | Details |
| B141722 | CHEMBL4802045 | -- | -- | 440.48 | C26H21FN4O2 | ACID | Details |
| B141737 | CHEMBL481 | Small molecule | IRINOTECAN | 586.69 | C33H38N4O6 | BASE | Details |
| B141754 | CHEMBL481660 | Small molecule | -- | 548.68 | C32H40N2O6 | ACID | Details |