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
B105759 CHEMBL19236 Small molecule MOXONIDINE 241.68 C9H12ClN5O NEUTRAL Details
B105865 CHEMBL19299 Small molecule LOXOPROFEN 246.31 C15H18O3 ACID Details
B105866 CHEMBL193 Small molecule NIFEDIPINE 346.34 C17H18N2O6 NEUTRAL Details
B105943 CHEMBL193482 Small molecule ESTRIOL 288.39 C18H24O3 NEUTRAL Details
B106214 CHEMBL195437 Small molecule 4-OCTYLPHENOL 206.33 C14H22O NEUTRAL Details
B106277 CHEMBL196 Small molecule ASCORBIC ACID 176.12 C6H8O6 ACID Details
B107949 CHEMBL2 Small molecule PRAZOSIN 383.41 C19H21N5O4 NEUTRAL Details
B107950 CHEMBL20 Small molecule ACETAZOLAMIDE 222.25 C4H6N4O3S2 NEUTRAL Details
B108705 CHEMBL203266 Small molecule TRIMETAZIDINE 266.34 C14H22N2O3 BASE Details
B109006 CHEMBL205596 Small molecule CHOLIC ACID 408.58 C24H40O5 ACID Details
B109219 CHEMBL2079587 Small molecule STANOZOLOL 328.5 C21H32N2O NEUTRAL Details
B109274 CHEMBL20883 Small molecule TEGAFUR 200.17 C8H9FN2O3 NEUTRAL Details
B109352 CHEMBL21 Small molecule SULFANILAMIDE 172.21 C6H8N2O2S NEUTRAL Details
B109368 CHEMBL2103747 Small molecule ACONITINE 645.75 C34H47NO11 BASE Details
B109369 CHEMBL2103774 Small molecule TIBOLONE 312.45 C21H28O2 NEUTRAL Details
B109383 CHEMBL2104586 Small molecule COLESTOLONE 400.65 C27H44O2 NEUTRAL Details
B109393 CHEMBL2105617 Small molecule AJMALINE 326.44 C20H26N2O2 NEUTRAL Details
B109400 CHEMBL2105807 Small molecule MADURAMICIN 934.17 C47H83NO17 ACID Details
B109404 CHEMBL2106399 Small molecule KITASAMYCIN 785.97 C40H67NO14 NEUTRAL Details
B109409 CHEMBL2107687 Small molecule VALETHAMATE BROMIDE 386.37 C19H32BrNO2 NEUTRAL Details
B109410 CHEMBL2107797 Small molecule NORGESTREL 312.45 C21H28O2 NEUTRAL Details
B109422 CHEMBL2110171 Small molecule -- 461.51 C26H29FNNaO4 ACID Details
B109433 CHEMBL2111238 Small molecule -- 403.45 C25H22FNO3 NEUTRAL Details
B109434 CHEMBL2111268 Small molecule -- 403.45 C25H22FNO3 NEUTRAL Details
B109435 CHEMBL2111271 Small molecule -- 341.38 C20H20FNO3 NEUTRAL Details
B109488 CHEMBL211501 Small molecule ANTIMYCIN A 548.63 C28H40N2O9 NEUTRAL Details
B114399 CHEMBL21731 Small molecule MAPROTILINE 277.41 C20H23N BASE Details
B114540 CHEMBL219916 Small molecule DOMPERIDONE 425.92 C22H24ClN5O2 NEUTRAL Details
B114573 CHEMBL2203595 Small molecule -- 468.68 C30H44O4 ACID Details
B114574 CHEMBL2203597 Small molecule -- 470.69 C30H46O4 ACID Details
B114793 CHEMBL221753 Small molecule BENZETHONIUM CHLORIDE 448.09 C27H42ClNO2 NEUTRAL Details
B114799 CHEMBL221886 Small molecule SISOMICIN 447.53 C19H37N5O7 BASE Details
B114822 CHEMBL2220427 Small molecule ERYTHROMYCIN PROPIONATE 790.0 C40H71NO14 NEUTRAL Details
B114823 CHEMBL2220442 Small molecule FLUVASTATIN 411.47 C24H26FNO4 ACID Details
B114829 CHEMBL2221249 Protein COLISTIN 2296.97 C105H202N32O24 None Details
B114845 CHEMBL222863 Small molecule OUABAIN 584.66 C29H44O12 NEUTRAL Details
B114931 CHEMBL2252949 Small molecule (-)-CAMPHOR 152.24 C10H16O NEUTRAL Details
B115073 CHEMBL22762 Small molecule -- 461.47 C24H25FN3NaO4 ACID Details
B115074 CHEMBL227934 Small molecule STRYCHNINE 334.42 C21H22N2O2 BASE Details
B115128 CHEMBL228528 Small molecule -- 596.61 C33H31F2N2NaO5 ACID Details
B115130 CHEMBL228583 Small molecule -- 610.63 C34H33F2N2NaO5 ACID Details
B115131 CHEMBL228667 Small molecule -- 592.64 C34H34FN2NaO5 ACID Details
B115133 CHEMBL228954 Small molecule -- 502.52 C27H28FN2NaO5 ACID Details
B115134 CHEMBL228955 Small molecule -- 544.6 C30H34FN2NaO5 ACID Details
B115153 CHEMBL23 Small molecule DILTIAZEM 414.53 C22H26N2O4S NEUTRAL Details
B115244 CHEMBL23119 Small molecule -- 505.57 C27H33FN3NaO4 ACID Details
B115275 CHEMBL23126 Small molecule -- 511.53 C28H27FN3NaO4 ACID Details
B115451 CHEMBL23208 Small molecule -- 560.0 C29H28ClFN3NaO4 ACID Details
B115569 CHEMBL23304 Small molecule -- 505.59 C27H29FNNaO4S ACID Details
B115730 CHEMBL2347005 Small molecule -- 620.9 C33H56N2O7Si None Details
B115731 CHEMBL2347006 Small molecule -- 437.58 C24H39NO6 NEUTRAL Details
B115732 CHEMBL2347007 Small molecule -- 451.6 C25H41NO6 NEUTRAL Details
B115733 CHEMBL2347008 Small molecule -- 573.67 C33H36FN3O5 NEUTRAL Details
B115734 CHEMBL2347009 Small molecule -- 496.56 C22H29FN4O6S NEUTRAL Details
B115735 CHEMBL2347010 Small molecule -- 764.05 C41H61N5O7Si None Details
B115736 CHEMBL2347011 Small molecule -- 778.08 C42H63N5O7Si None Details
B115907 CHEMBL234926 Small molecule ALLYL ALCOHOL 58.08 C3H6O NEUTRAL Details
B115912 CHEMBL23512 Small molecule -- 527.59 C29H27FNNaO4S ACID Details
B115942 CHEMBL23581 Small molecule -- 491.56 C26H27FNNaO4S ACID Details
B115976 CHEMBL23633 Small molecule -- 493.58 C26H29FNNaO4S ACID Details
B116005 CHEMBL2367470 Small molecule -- 487.39 C22H18F4N3NaO4 ACID Details
B116006 CHEMBL2367471 Small molecule -- 517.56 C26H25FN3NaO4S ACID Details
B116007 CHEMBL2367472 Small molecule -- 462.46 C23H24FN4NaO4 ACID Details
B116008 CHEMBL2367475 Small molecule -- 511.53 C28H27FN3NaO4 ACID Details
B116009 CHEMBL2367477 Small molecule -- 461.47 C24H25FN3NaO4 ACID Details
B116010 CHEMBL2367478 Small molecule -- 460.48 C25H26FN2NaO4 ACID Details
B116013 CHEMBL2367892 Unknown TEICOPLANIN 1767.46 C80H81Cl2N9O33 None Details
B116014 CHEMBL2368185 Small molecule -- 450.49 C26H24F2N2O3 NEUTRAL Details
B116015 CHEMBL2368188 Small molecule -- 432.5 C26H25FN2O3 NEUTRAL Details
B116016 CHEMBL2368189 Small molecule -- 438.54 C26H31FN2O3 NEUTRAL Details
B116017 CHEMBL2368190 Small molecule -- 398.48 C23H27FN2O3 NEUTRAL Details
B116018 CHEMBL2368191 Small molecule -- 437.56 C27H32FNO3 NEUTRAL Details
B116019 CHEMBL2368194 Small molecule -- 443.54 C28H29NO4 NEUTRAL Details
B116020 CHEMBL2368197 Small molecule -- 411.52 C25H30FNO3 NEUTRAL Details
B116021 CHEMBL2368198 Small molecule -- 369.44 C22H24FNO3 NEUTRAL Details
B116022 CHEMBL2368199 Small molecule GLENVASTATIN 431.51 C27H26FNO3 NEUTRAL Details
B116023 CHEMBL2368200 Small molecule -- 431.51 C27H26FNO3 NEUTRAL Details
B116024 CHEMBL2368201 Small molecule -- 471.57 C30H30FNO3 NEUTRAL Details
B116025 CHEMBL2368202 Small molecule -- 449.5 C27H25F2NO3 NEUTRAL Details
B116026 CHEMBL2368205 Small molecule -- 459.56 C29H30FNO3 NEUTRAL Details
B116133 CHEMBL2375155 Small molecule -- 465.54 C26H33FNNaO4 ACID Details
B116134 CHEMBL2375156 Small molecule -- 431.44 C24H23FNNaO4 ACID Details
B116163 CHEMBL23768 Small molecule -- 503.55 C27H31FN3NaO4 ACID Details
B116183 CHEMBL23780 Small molecule -- 493.58 C26H29FNNaO4S ACID Details
B116197 CHEMBL238071 Small molecule VINDESINE 753.94 C43H55N5O7 BASE Details
B116407 CHEMBL2393053 Small molecule 3-ANHYDRO-6-EPI-OPHIOBOLIN A 382.54 C25H34O3 NEUTRAL Details
B116459 CHEMBL24 Small molecule ATENOLOL 266.34 C14H22N2O3 BASE Details
B116494 CHEMBL24062 Small molecule -- 541.62 C30H29FNNaO4S ACID Details
B116560 CHEMBL241694 Small molecule ETHISTERONE 312.45 C21H28O2 NEUTRAL Details
B116625 CHEMBL242273 Small molecule SAFROLE 162.19 C10H10O2 None Details
B116654 CHEMBL24286 Small molecule -- 523.54 C29H27FN3NaO4 ACID Details
B116679 CHEMBL24342 Small molecule -- 539.58 C30H31FN3NaO4 ACID Details
B116806 CHEMBL24392 Small molecule -- 555.58 C30H31FN3NaO5 ACID Details
B116841 CHEMBL24432 Small molecule -- 447.44 C23H23FN3NaO4 ACID Details
B116842 CHEMBL24441 Small molecule BETAHISTINE 136.2 C8H12N2 BASE Details
B116852 CHEMBL24477 Small molecule -- 450.44 C23H24FN2NaO5 ACID Details
B116862 CHEMBL24485 Small molecule -- 475.5 C25H27FN3NaO4 ACID Details
B116879 CHEMBL245416 Small molecule L-MIMOSINE 198.18 C8H10N2O4 ZWITTERION Details
B116895 CHEMBL24592 Small molecule -- 489.52 C26H29FN3NaO4 ACID Details
B117106 CHEMBL248702 Small molecule DEXFENFLURAMINE 231.26 C12H16F3N BASE Details