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
B084976 CHEMBL1612004 Small molecule -- 123.15 C7H9NO NEUTRAL Details
B085427 CHEMBL1614641 Small molecule FLUNOXAPROFEN 285.27 C16H12FNO3 ACID Details
B085452 CHEMBL161829 Small molecule -- 447.48 C25H27FNNaO4 ACID Details
B085453 CHEMBL1618305 Small molecule NALOXONAZINE 650.78 C38H42N4O6 BASE Details
B085455 CHEMBL1619 Small molecule CLADRIBINE 285.69 C10H12ClN5O3 NEUTRAL Details
B085479 CHEMBL1626 Small molecule CLEMASTINE 343.9 C21H26ClNO BASE Details
B085480 CHEMBL162642 Small molecule -- 459.49 C26H27FNNaO4 ACID Details
B085484 CHEMBL1628227 Small molecule DOXEPIN 279.38 C19H21NO BASE Details
B085596 CHEMBL163 Small molecule RITONAVIR 720.96 C37H48N6O5S2 NEUTRAL Details
B085611 CHEMBL1630578 Small molecule TIRILAZAD 624.87 C38H52N6O2 NEUTRAL Details
B085612 CHEMBL1630579 Small molecule MYRTECAINE 265.44 C17H31NO BASE Details
B085715 CHEMBL163277 Small molecule -- 399.44 C21H27FNNaO4 ACID Details
B085788 CHEMBL164290 Small molecule N-NITROSODIETHYLAMINE 102.14 C4H10N2O NEUTRAL Details
B085789 CHEMBL1643 Small molecule RIBAVIRIN 244.21 C8H12N4O5 NEUTRAL Details
B085869 CHEMBL165 Small molecule RESVERATROL 228.25 C14H12O3 NEUTRAL Details
B085870 CHEMBL1650 Small molecule CORTISONE ACETATE 402.49 C23H30O6 NEUTRAL Details
B085915 CHEMBL1651906 Small molecule STREPTOZOCIN 265.22 C8H15N3O7 NEUTRAL Details
B085924 CHEMBL165790 Small molecule IPRIFLAVONE 280.32 C18H16O3 NEUTRAL Details
B085926 CHEMBL1660 Small molecule RIFAPENTINE 877.04 C47H64N4O12 NEUTRAL Details
B085941 CHEMBL166753 Small molecule -- 416.65 C27H44O3 NEUTRAL Details
B085994 CHEMBL1670 Small molecule MITOTANE 320.05 C14H10Cl4 NEUTRAL Details
B086083 CHEMBL1679 Small molecule LEUCOVORIN 473.45 C20H23N7O7 ACID Details
B086084 CHEMBL167911 Small molecule DICHLORVOS 220.98 C4H7Cl2O4P None Details
B086189 CHEMBL1687 Small molecule TUBOCURARINE CHLORIDE 645.2 C37H41ClN2O6 NEUTRAL Details
B086241 CHEMBL169046 Small molecule -- 402.66 C27H46O2 NEUTRAL Details
B086251 CHEMBL1697694 Small molecule AFLATOXIN 312.28 C17H12O6 NEUTRAL Details
B089685 CHEMBL1712923 Small molecule IRSOGLADINE MALEATE 372.17 C13H11Cl2N5O4 NEUTRAL Details
B090300 CHEMBL17157 Small molecule TERFENADINE 471.69 C32H41NO2 BASE Details
B092669 CHEMBL1726 Small molecule NISOLDIPINE 388.42 C20H24N2O6 NEUTRAL Details
B092898 CHEMBL1727 Small molecule CEPHALEXIN 347.4 C16H17N3O4S ACID Details
B093368 CHEMBL1729 Small molecule CISAPRIDE 465.95 C23H29ClFN3O4 NEUTRAL Details
B093619 CHEMBL1730 Small molecule CEFOTAXIME 455.47 C16H17N5O7S2 ACID Details
B094078 CHEMBL1732 Small molecule DIHYDROERGOTAMINE 583.69 C33H37N5O5 NEUTRAL Details
B095248 CHEMBL174 Small molecule AMPICILLIN 349.41 C16H19N3O4S ACID Details
B095250 CHEMBL1741 Small molecule CLARITHROMYCIN 747.96 C38H69NO13 NEUTRAL Details
B095302 CHEMBL1747 Small molecule TOBRAMYCIN 467.52 C18H37N5O9 BASE Details
B095311 CHEMBL175 Small molecule DEXIBUPROFEN 206.28 C13H18O2 ACID Details
B095313 CHEMBL1751 Small molecule DIGOXIN 780.95 C41H64O14 NEUTRAL Details
B095314 CHEMBL1752 Small molecule DYPHYLLINE 254.25 C10H14N4O4 NEUTRAL Details
B095316 CHEMBL175236 Small molecule -- 444.54 C24H37NaO6 ACID Details
B095318 CHEMBL1753 Small molecule CLINDAMYCIN 424.99 C18H33ClN2O5S NEUTRAL Details
B095325 CHEMBL1754 Small molecule DOXAPRAM 378.52 C24H30N2O2 NEUTRAL Details
B095337 CHEMBL1760 Small molecule TERBUTALINE 225.29 C12H19NO3 BASE Details
B095393 CHEMBL1762 Small molecule TOCAINIDE 192.26 C11H16N2O NEUTRAL Details
B095494 CHEMBL1766 Small molecule DESOXIMETASONE 376.47 C22H29FO4 NEUTRAL Details
B095521 CHEMBL177 Small molecule AMIKACIN 585.61 C22H43N5O13 BASE Details
B095530 CHEMBL1771 Small molecule CLOPIDOGREL 321.83 C16H16ClNO2S NEUTRAL Details
B095576 CHEMBL177545 Small molecule -- 580.6 C29H39FNa2O8 ACID Details
B095587 CHEMBL177756 Small molecule FLUORESCEIN 332.31 C20H12O5 ACID Details
B095654 CHEMBL178 Small molecule DAUNORUBICIN 527.53 C27H29NO10 BASE Details
B095892 CHEMBL1790041 Small molecule RANITIDINE 314.41 C13H22N4O3S NEUTRAL Details
B095900 CHEMBL179166 Small molecule SODIUM ORTHOVANAD 183.91 Na3O4V None Details
B096129 CHEMBL181 Small molecule DIAZOXIDE 230.68 C8H7ClN2O2S NEUTRAL Details
B096309 CHEMBL182 Small molecule GANCICLOVIR 255.23 C9H13N5O4 NEUTRAL Details
B096690 CHEMBL184 Small molecule ACYCLOVIR 225.21 C8H11N5O3 NEUTRAL Details
B096709 CHEMBL184618 Small molecule FRAMYCETIN 614.65 C23H46N6O13 BASE Details
B096713 CHEMBL185 Small molecule FLUOROURACIL 130.08 C4H3FN2O2 NEUTRAL Details
B098020 CHEMBL18701 Small molecule RO-201724 278.35 C15H22N2O3 NEUTRAL Details
B098780 CHEMBL1873703 Small molecule DIELDRIN 380.91 C12H8Cl6O NEUTRAL Details
B100000 CHEMBL18797 Small molecule SULINDAC SULFIDE 340.42 C20H17FO2S ACID Details
B101931 CHEMBL188921 Small molecule BUFLOMEDIL 307.39 C17H25NO4 BASE Details
B102093 CHEMBL189 Small molecule MILRINONE 211.22 C12H9N3O NEUTRAL Details
B102439 CHEMBL189171 Small molecule ACEMETACIN 415.83 C21H18ClNO6 ACID Details
B104133 CHEMBL190 Small molecule THEOPHYLLINE 180.17 C7H8N4O2 NEUTRAL Details
B104521 CHEMBL19019 Small molecule NALTREXONE 341.41 C20H23NO4 BASE Details
B104700 CHEMBL1902627 Small molecule CLORPRENALINE 213.71 C11H16ClNO BASE Details
B104777 CHEMBL1902981 Small molecule EPERISONE 259.39 C17H25NO BASE Details
B105569 CHEMBL1908008 Small molecule -- 402.66 C27H46O2 NEUTRAL Details
B105571 CHEMBL1908355 Small molecule TENIDAP 320.76 C14H9ClN2O3S ACID Details
B105583 CHEMBL1909048 Small molecule -- 313.83 C19H20ClNO NEUTRAL Details
B105584 CHEMBL1909049 Small molecule -- 309.41 C20H23NO2 NEUTRAL Details
B105586 CHEMBL1909050 Small molecule -- 293.41 C20H23NO NEUTRAL Details
B105587 CHEMBL1909051 Small molecule -- 347.38 C20H20F3NO NEUTRAL Details
B105588 CHEMBL1909054 Unknown CARBOXYMETHYLCELLULOSE -- -- -- Details
B105589 CHEMBL1909055 Small molecule COBALTOUS CHLORIDE 129.84 Cl2Co None Details
B105590 CHEMBL1909056 Small molecule COBALT(II) ACETYLACETONATE 257.15 C10H14CoO4 None Details
B105591 CHEMBL1909057 Small molecule COPPER(II) OXIDE 79.55 CuO None Details
B105592 CHEMBL1909062 Small molecule LEAD (II) ACETATE 325.29 C4H6O4Pb None Details
B105593 CHEMBL1909063 Small molecule LEAD(IV) ACETATE 443.38 C8H12O8Pb None Details
B105594 CHEMBL1909064 Unknown LIPOPOLYSACCHARIDE E. COLI O55:B5 -- -- -- Details
B105595 CHEMBL1909065 Small molecule MADURAMICIN 917.14 C47H80O17 ACID Details
B105596 CHEMBL1909067 Unknown -- -- -- -- Details
B105597 CHEMBL1909068 Unknown -- -- -- -- Details
B105598 CHEMBL1909069 Unknown -- -- -- -- Details
B105599 CHEMBL1909070 Small molecule NAFENOPIN 310.39 C20H22O3 ACID Details
B105600 CHEMBL1909071 Unknown -- -- -- -- Details
B105601 CHEMBL1909072 Small molecule PIPAMAZINE 401.96 C21H24ClN3OS BASE Details
B105602 CHEMBL1909073 Small molecule PIPERILATE ETHOBROMIDE 448.4 C23H30BrNO3 NEUTRAL Details
B105603 CHEMBL1909074 Unknown POLYVINYLPYRROLIDONE -- -- -- Details
B105604 CHEMBL1909075 Unknown -- -- -- -- Details
B105605 CHEMBL1909076 Small molecule -- 270.38 C11H14N2O2S2 ACID Details
B105606 CHEMBL1909078 Small molecule SODIUM ARSENITE 129.91 AsNaO2 None Details
B105607 CHEMBL1909079 Small molecule STANNOUS FLUORIDE 156.71 F2Sn None Details
B105608 CHEMBL1909080 Small molecule STRONTIUM CHLORIDE HEXAHYDRATE 266.62 H12Cl2O6Sr None Details
B105609 CHEMBL1909083 Small molecule ZIRCONIUM(IV) CHLORIDE 233.04 Cl4Zr None Details
B105615 CHEMBL191 Small molecule LOSARTAN 422.92 C22H23ClN6O ACID Details
B105681 CHEMBL1915876 Small molecule -- 401.42 C24H19NO5 NEUTRAL Details
B105694 CHEMBL192 Small molecule SILDENAFIL 474.59 C22H30N6O4S NEUTRAL Details
B105697 CHEMBL19215 Small molecule METERGOLINE 403.53 C25H29N3O2 NEUTRAL Details
B105705 CHEMBL19224 Small molecule PAPAVERINE 339.39 C20H21NO4 NEUTRAL Details