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 reductase
1317 records.
Compound ID Source ID Source Type Compound Name Molecular Weight Molecular Formula Molecular Species
B049015 CHEMBL1475 Small molecule TRIOXSALEN 228.25 C14H12O3 NEUTRAL Details
B049559 CHEMBL1476898 Small molecule CADMIUM ACETATE 230.5 C4H6CdO4 None Details
B049585 CHEMBL1477 Small molecule CERIVASTATIN 459.56 C26H34FNO5 ACID Details
B050168 CHEMBL1479 Small molecule DANAZOL 337.46 C22H27NO2 NEUTRAL Details
B050446 CHEMBL1480 Small molecule FELODIPINE 384.26 C18H19Cl2NO4 NEUTRAL Details
B050682 CHEMBL1480987 Small molecule CYCLANDELATE 276.38 C17H24O3 NEUTRAL Details
B050688 CHEMBL1481 Small molecule GLIMEPIRIDE 490.63 C24H34N4O5S ACID Details
B051242 CHEMBL1483 Small molecule ALBENDAZOLE 265.34 C12H15N3O2S NEUTRAL Details
B052288 CHEMBL1487 Small molecule ATORVASTATIN 558.65 C33H35FN2O5 ACID Details
B052813 CHEMBL1489 Small molecule AZACITIDINE 244.21 C8H12N4O5 NEUTRAL Details
B052878 CHEMBL1489254 Small molecule TRIACETIN 218.21 C9H14O6 NEUTRAL Details
B053073 CHEMBL1490 Small molecule TRIHEXYPHENIDYL 301.47 C20H31NO BASE Details
B053346 CHEMBL1491 Small molecule AMLODIPINE 408.88 C20H25ClN2O5 BASE Details
B053880 CHEMBL1493 Small molecule FLAVOXATE 391.47 C24H25NO4 NEUTRAL Details
B054040 CHEMBL149359 Small molecule -- 461.48 C26H37BrO2 NEUTRAL Details
B054043 CHEMBL149361 Small molecule -- 246.35 C16H22O2 NEUTRAL Details
B054190 CHEMBL149416 Small molecule -- 400.58 C26H37FO2 NEUTRAL Details
B054655 CHEMBL1496 Small molecule ROSUVASTATIN 481.55 C22H28FN3O6S ACID Details
B054775 CHEMBL149639 Small molecule -- 408.58 C27H36O3 NEUTRAL Details
B054957 CHEMBL149701 Small molecule -- 370.49 C20H34O6 ACID Details
B054961 CHEMBL149702 Small molecule -- 414.58 C23H42O6 ACID Details
B055385 CHEMBL149860 Small molecule -- 398.59 C26H38O3 NEUTRAL Details
B055507 CHEMBL1499 Small molecule -- 360.45 C21H28O5 NEUTRAL Details
B055675 CHEMBL149974 Small molecule -- 366.59 C26H38O NEUTRAL Details
B055834 CHEMBL150031 Small molecule -- 428.7 C29H48O2 NEUTRAL Details
B055838 CHEMBL150032 Small molecule -- 426.64 C28H42O3 NEUTRAL Details
B056010 CHEMBL1501 Small molecule FLUOCINONIDE 494.53 C26H32F2O7 NEUTRAL Details
B056252 CHEMBL150189 Small molecule -- 410.64 C28H42O2 NEUTRAL Details
B056281 CHEMBL1502 Small molecule PANTOPRAZOLE 383.38 C16H15F2N3O4S NEUTRAL Details
B056551 CHEMBL1503 Small molecule OMEPRAZOLE 345.42 C17H19N3O3S NEUTRAL Details
B056824 CHEMBL1504 Small molecule TRIAMCINOLONE ACETONIDE 434.5 C24H31FO6 NEUTRAL Details
B057097 CHEMBL150495 Small molecule -- 382.59 C26H38O2 NEUTRAL Details
B057452 CHEMBL150629 Small molecule -- 424.63 C28H40O3 NEUTRAL Details
B057584 CHEMBL150680 Small molecule -- 394.64 C28H42O NEUTRAL Details
B057605 CHEMBL150688 Small molecule -- 432.65 C30H40O2 NEUTRAL Details
B057809 CHEMBL150767 Small molecule -- 280.34 C16H21FO3 NEUTRAL Details
B057845 CHEMBL150782 Small molecule -- 374.61 C25H42O2 NEUTRAL Details
B057970 CHEMBL150831 Small molecule -- 396.62 C27H40O2 NEUTRAL Details
B057993 CHEMBL150840 Small molecule -- 426.69 C29H46O2 NEUTRAL Details
B058077 CHEMBL150873 Small molecule -- 383.58 C25H37NO2 NEUTRAL Details
B058163 CHEMBL150909 Small molecule -- 384.58 C26H37FO NEUTRAL Details
B058382 CHEMBL151000 Small molecule -- 408.63 C28H40O2 NEUTRAL Details
B058389 CHEMBL151002 Small molecule -- 396.62 C27H40O2 NEUTRAL Details
B058908 CHEMBL1512 Small molecule FLUNISOLIDE 434.5 C24H31FO6 NEUTRAL Details
B058925 CHEMBL151205 Small molecule -- 424.67 C29H44O2 NEUTRAL Details
B059177 CHEMBL1513 Small molecule IRBESARTAN 428.54 C25H28N6O ACID Details
B059194 CHEMBL151305 Small molecule -- 396.62 C27H40O2 NEUTRAL Details
B059344 CHEMBL151363 Small molecule -- 478.76 C33H50O2 NEUTRAL Details
B059544 CHEMBL151437 Small molecule -- 428.61 C24H44O6 ACID Details
B059606 CHEMBL151459 Small molecule -- 368.56 C25H36O2 NEUTRAL Details
B059715 CHEMBL1515 Small molecule METHIMAZOLE 114.17 C4H6N2S NEUTRAL Details
B059910 CHEMBL1515611 Small molecule BROMISOVALUM 223.07 C6H11BrN2O2 NEUTRAL Details
B060284 CHEMBL1517 Small molecule OXYTETRACYCLINE 460.44 C22H24N2O9 ACID Details
B060575 CHEMBL1518 Small molecule PROPYLTHIOURACIL 170.24 C7H10N2OS NEUTRAL Details
B061054 CHEMBL151969 Small molecule -- 438.65 C29H42O3 NEUTRAL Details
B061381 CHEMBL1521 Small molecule ZALEPLON 305.34 C17H15N5O NEUTRAL Details
B062289 CHEMBL15245 Small molecule YOHIMBINE 354.45 C21H26N2O3 NEUTRAL Details
B063092 CHEMBL1527608 Small molecule DOXOFYLLINE 266.26 C11H14N4O4 NEUTRAL Details
B063863 CHEMBL153062 Small molecule 4-NONYLPHENOL 220.36 C15H24O NEUTRAL Details
B064036 CHEMBL153123 Small molecule -- 382.59 C26H38O2 NEUTRAL Details
B064965 CHEMBL153479 Small molecule AMBROXOL 378.11 C13H18Br2N2O BASE Details
B065024 CHEMBL1535 Small molecule HYDROXYCHLOROQUINE 335.88 C18H26ClN3O BASE Details
B065037 CHEMBL153503 Small molecule -- 439.6 C27H37NO4 NEUTRAL Details
B065296 CHEMBL1536 Small molecule ERGOCALCIFEROL 396.66 C28H44O NEUTRAL Details
B065551 CHEMBL1537 Small molecule AZLOCILLIN 461.5 C20H23N5O6S ACID Details
B066054 CHEMBL1539 Small molecule SULFADOXINE 310.34 C12H14N4O4S ACID Details
B066322 CHEMBL154 Small molecule NAPROXEN 230.26 C14H14O3 ACID Details
B066323 CHEMBL1540 Small molecule PENCICLOVIR 253.26 C10H15N5O3 NEUTRAL Details
B066643 CHEMBL154111 Small molecule SALSALATE 258.23 C14H10O5 ACID Details
B066883 CHEMBL1542 Small molecule AZATHIOPRINE 277.27 C9H7N7O2S NEUTRAL Details
B067378 CHEMBL1544 Small molecule LIOTHYRONINE 650.98 C15H12I3NO4 ZWITTERION Details
B069222 CHEMBL15511 Small molecule ENROFLOXACIN 359.4 C19H22FN3O3 ACID Details
B070014 CHEMBL1554 Protein DACTINOMYCIN 1255.44 C62H86N12O16 None Details
B071618 CHEMBL1560 Small molecule CAPTOPRIL 217.29 C9H15NO3S ACID Details
B072780 CHEMBL156455 Small molecule 1,1-DICHLOROETHENE 96.94 C2H2Cl2 None Details
B072895 CHEMBL1565 Small molecule -- 574.65 C33H35FN2O6 ACID Details
B073137 CHEMBL1566 Oligosaccharide ACARBOSE 645.61 C25H43NO18 NEUTRAL Details
B073196 CHEMBL1566249 Small molecule AMPIROXICAM 447.47 C20H21N3O7S NEUTRAL Details
B073397 CHEMBL156695 Small molecule -- 433.52 C27H28FNO3 NEUTRAL Details
B073399 CHEMBL1566956 Small molecule TROXIPIDE 294.35 C15H22N2O4 BASE Details
B073536 CHEMBL1567463 Small molecule CHOLINE ALFOSCERATE 257.22 C8H20NO6P ACID Details
B073678 CHEMBL1568 Small molecule FLUDARABINE 285.24 C10H12FN5O4 NEUTRAL Details
B074463 CHEMBL157101 Small molecule KETOCONAZOLE 531.44 C26H28Cl2N4O4 NEUTRAL Details
B074550 CHEMBL157138 Small molecule LISURIDE 338.46 C20H26N4O NEUTRAL Details
B074690 CHEMBL1572 Small molecule NETILMICIN 475.59 C21H41N5O7 BASE Details
B075565 CHEMBL157548 Small molecule DANOFLOXACIN 357.39 C19H20FN3O3 ACID Details
B075940 CHEMBL15770 Small molecule SULINDAC 356.42 C20H17FO3S ACID Details
B076677 CHEMBL158 Small molecule AZTREONAM 435.44 C13H17N5O8S2 ACID Details
B078255 CHEMBL1586 Small molecule BECLOMETHASONE 408.92 C22H29ClO5 NEUTRAL Details
B079281 CHEMBL159 Small molecule VINBLASTINE 810.99 C46H58N4O9 BASE Details
B079563 CHEMBL159103 Small molecule -- 445.47 C25H25FNNaO4 ACID Details
B079838 CHEMBL1592 Small molecule QUINAPRIL 438.52 C25H30N2O5 ACID Details
B081540 CHEMBL1598608 Small molecule AZASETRON 349.82 C17H20ClN3O3 NEUTRAL Details
B081786 CHEMBL159951 Small molecule -- 467.56 C26H35FNNaO4 ACID Details
B081918 CHEMBL16 Small molecule PHENYTOIN 252.27 C15H12N2O2 ACID Details
B081919 CHEMBL160 Protein CYCLOSPORINE 1202.63 C62H111N11O12 None Details
B082212 CHEMBL160102 Small molecule -- 425.48 C23H29FNNaO4 ACID Details
B082365 CHEMBL1601669 Small molecule ALFACALCIDOL 400.65 C27H44O2 NEUTRAL Details
B083653 CHEMBL16068 Small molecule BROMOBENZENE 157.01 C6H5Br None Details
B083786 CHEMBL16073 Small molecule PHENACETIN 179.22 C10H13NO2 NEUTRAL Details