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
B002120 CHEMBL1231530 Small molecule BETAMIPRON 193.2 C10H11NO3 ACID Details
B002140 CHEMBL123292 Small molecule CYCLOHEXIMIDE 281.35 C15H23NO4 NEUTRAL Details
B002157 CHEMBL1235242 Small molecule -- 183.18 C9H10FNO2 ZWITTERION Details
B002172 CHEMBL1236282 Small molecule THIAMPHENICOL 356.23 C12H15Cl2NO5S NEUTRAL Details
B002182 CHEMBL1237 Small molecule LISINOPRIL 405.5 C21H31N3O5 ZWITTERION Details
B002184 CHEMBL1237044 Small molecule TRAMADOL 263.38 C16H25NO2 BASE Details
B002185 CHEMBL1237061 Small molecule PITAVASTATIN CALCIUM 881.0 C50H46CaF2N2O8 ACID Details
B002187 CHEMBL1237174 Small molecule HYDRAZINE 32.05 H4N2 NEUTRAL Details
B002242 CHEMBL1243 Small molecule SULFABENZAMIDE 276.32 C13H12N2O3S ACID Details
B002353 CHEMBL1255834 Small molecule BW-723C86 286.4 C16H18N2OS BASE Details
B002354 CHEMBL1255837 Small molecule DIHYDROERGOCRISTINE MESYLATE 707.85 C36H45N5O8S NEUTRAL Details
B002358 CHEMBL1255901 Small molecule HUPERZINE A 242.32 C15H18N2O BASE Details
B002362 CHEMBL1256017 Small molecule ARCAINE SULFATE 270.31 C6H18N6O4S BASE Details
B002460 CHEMBL1261 Small molecule CITRIC ACID 192.12 C6H8O7 ACID Details
B002463 CHEMBL1262 Small molecule OXICONAZOLE 429.13 C18H13Cl4N3O NEUTRAL Details
B002499 CHEMBL127 Small molecule MEROPENEM 383.47 C17H25N3O5S ZWITTERION Details
B002570 CHEMBL127516 Small molecule BUTAMBEN 193.25 C11H15NO2 NEUTRAL Details
B002576 CHEMBL1276308 Small molecule MIFEPRISTONE 429.6 C29H35NO2 NEUTRAL Details
B002599 CHEMBL1278089 Small molecule CHOLESTAN-3beta,5alpha,6beta-TRIOL 420.68 C27H48O3 NEUTRAL Details
B002604 CHEMBL128 Small molecule SUMATRIPTAN 295.41 C14H21N3O2S BASE Details
B002606 CHEMBL1282 Small molecule IMIQUIMOD 240.31 C14H16N4 NEUTRAL Details
B002610 CHEMBL12856 Small molecule INAMRINONE 187.2 C10H9N3O NEUTRAL Details
B002657 CHEMBL1289 Small molecule HALOPROGIN 361.39 C9H4Cl3IO NEUTRAL Details
B002710 CHEMBL129 Small molecule ZIDOVUDINE 267.25 C10H13N5O4 NEUTRAL Details
B002745 CHEMBL12948 Small molecule SEMUSTINE 247.73 C10H18ClN3O2 NEUTRAL Details
B002747 CHEMBL1297 Small molecule FENOPROFEN 242.27 C15H14O3 ACID Details
B002956 CHEMBL13 Small molecule METOPROLOL 267.37 C15H25NO3 BASE Details
B002957 CHEMBL130 Small molecule CHLORAMPHENICOL 323.13 C11H12Cl2N2O5 NEUTRAL Details
B004499 CHEMBL1306 Small molecule TERCONAZOLE 532.47 C26H31Cl2N5O3 NEUTRAL Details
B005038 CHEMBL1308 Small molecule FOMEPIZOLE 82.11 C4H6N2 NEUTRAL Details
B005561 CHEMBL131 Small molecule PREDNISOLONE 360.45 C21H28O5 NEUTRAL Details
B007991 CHEMBL1319362 Small molecule HOMATROPINE HYDROBROMIDE 356.26 C16H22BrNO3 BASE Details
B008396 CHEMBL13209 Small molecule NITRAZEPAM 281.27 C15H11N3O3 NEUTRAL Details
B008430 CHEMBL1321 Small molecule PROCARBAZINE 221.3 C12H19N3O NEUTRAL Details
B008465 CHEMBL1321154 Small molecule ROXARSONE 263.04 C6H6AsNO6 None Details
B011682 CHEMBL1333512 Small molecule N,N'-DIPHENYL-P-PHENYLENEDIAMINE 260.34 C18H16N2 NEUTRAL Details
B011848 CHEMBL13341 Small molecule NIMETAZEPAM 295.3 C16H13N3O3 NEUTRAL Details
B011914 CHEMBL133434 Small molecule -- 456.76 C31H52O2 NEUTRAL Details
B012865 CHEMBL13378 Small molecule (R,S)-AMPA 186.17 C7H10N2O4 ACID Details
B012999 CHEMBL133834 Small molecule -- 458.77 C31H54O2 NEUTRAL Details
B013473 CHEMBL134 Small molecule CLONIDINE 230.1 C9H9Cl2N3 BASE Details
B014384 CHEMBL134342 Small molecule THIOCTIC ACID 206.33 C8H14O2S2 ACID Details
B015823 CHEMBL1349 Small molecule VALACYCLOVIR 324.34 C13H20N6O4 NEUTRAL Details
B016100 CHEMBL135 Small molecule ESTRADIOL 272.39 C18H24O2 NEUTRAL Details
B016357 CHEMBL1351 Small molecule CARBOPLATIN 371.25 C6H12N2O4Pt None Details
B019891 CHEMBL136478 Small molecule SODIUM NITROPRUSSIDE 261.92 C5FeN6Na2O None Details
B020118 CHEMBL1365675 Small molecule AMITRAZ 293.41 C19H23N3 BASE Details
B020195 CHEMBL1366 Small molecule AURANOFIN 678.49 C20H34AuO9PS None Details
B021247 CHEMBL137 Small molecule METRONIDAZOLE 171.16 C6H9N3O3 NEUTRAL Details
B021248 CHEMBL1370 Small molecule BUDESONIDE 430.54 C25H34O6 NEUTRAL Details
B021405 CHEMBL1370561 Small molecule AMINOPHYLLINE 420.43 C16H24N10O4 NEUTRAL Details
B021532 CHEMBL1371 Small molecule CHLORZOXAZONE 169.57 C7H4ClNO2 NEUTRAL Details
B021568 CHEMBL1371125 Small molecule BENZO[E]PYRENE 252.32 C20H12 None Details
B021779 CHEMBL1371937 Small molecule PANTHENOL 205.25 C9H19NO4 NEUTRAL Details
B021798 CHEMBL1372 Small molecule OXIGLUTATIONE 612.64 C20H32N6O12S2 ZWITTERION Details
B022051 CHEMBL1373 Small molecule MODAFINIL 273.36 C15H15NO2S NEUTRAL Details
B024157 CHEMBL1381098 Small molecule 1-NAPHTHYLISOTHIOCYANATE 185.25 C11H7NS NEUTRAL Details
B024926 CHEMBL1384 Small molecule KANAMYCIN 484.5 C18H36N4O11 BASE Details
B025405 CHEMBL1385840 Small molecule ERGOCORNINE 561.68 C31H39N5O5 NEUTRAL Details
B025445 CHEMBL1386 Small molecule TRANSPLATIN 300.05 H6Cl2N2Pt None Details
B025962 CHEMBL1388 Small molecule MONOBENZONE 200.24 C13H12O2 NEUTRAL Details
B026512 CHEMBL139 Small molecule DICLOFENAC 296.15 C14H11Cl2NO2 ACID Details
B026513 CHEMBL1390 Small molecule -- 344.5 C22H32O3 NEUTRAL Details
B027301 CHEMBL1393 Small molecule SPIRONOLACTONE 416.58 C24H32O4S NEUTRAL Details
B027817 CHEMBL1395 Small molecule METHYLTESTOSTERONE 302.46 C20H30O2 NEUTRAL Details
B028740 CHEMBL139835 Small molecule CYPROTERONE ACETATE 416.95 C24H29ClO4 NEUTRAL Details
B028904 CHEMBL1399 Small molecule ANASTROZOLE 293.37 C17H19N5 NEUTRAL Details
B029188 CHEMBL14 Small molecule CARBACHOL 182.65 C6H15ClN2O2 NEUTRAL Details
B029422 CHEMBL1400945 Small molecule PREGNENOLONE CARBONITRILE 341.5 C22H31NO2 NEUTRAL Details
B030063 CHEMBL1403281 Small molecule ERGOCRYPTINE 575.71 C32H41N5O5 NEUTRAL Details
B030509 CHEMBL1405 Small molecule ESTRONE 270.37 C18H22O2 NEUTRAL Details
B030585 CHEMBL14053 Small molecule TRICHLOROACETIC ACID 163.39 C2HCl3O2 ACID Details
B030772 CHEMBL14060 Small molecule PHENOL 94.11 C6H6O NEUTRAL Details
B031848 CHEMBL141 Small molecule LAMIVUDINE 229.26 C8H11N3O3S NEUTRAL Details
B032350 CHEMBL1411979 Small molecule METHAPYRILENE 261.39 C14H19N3S BASE Details
B032625 CHEMBL1413 Small molecule CICLOPIROX 207.27 C12H17NO2 NEUTRAL Details
B032741 CHEMBL141343 Small molecule -- 520.72 C30H44N6O2 NEUTRAL Details
B034236 CHEMBL1419 Small molecule SIBUTRAMINE 279.86 C17H26ClN BASE Details
B034293 CHEMBL14192 Small molecule BENZYLIMIDAZOLE 158.2 C10H10N2 NEUTRAL Details
B035817 CHEMBL1425 Small molecule MERCAPTOPURINE 152.18 C5H4N4S NEUTRAL Details
B036614 CHEMBL1428 Small molecule NIMODIPINE 418.45 C21H26N2O7 NEUTRAL Details
B037152 CHEMBL1430 Small molecule PENICILLAMINE 149.22 C5H11NO2S ZWITTERION Details
B037418 CHEMBL1431 Small molecule METFORMIN 129.17 C4H11N5 BASE Details
B037962 CHEMBL1433 Small molecule DOXYCYCLINE ANHYDROUS 444.44 C22H24N2O8 ACID Details
B039885 CHEMBL1440 Small molecule TETRACYCLINE 444.44 C22H24N2O8 ZWITTERION Details
B040922 CHEMBL1444 Small molecule LETROZOLE 285.31 C17H11N5 NEUTRAL Details
B041681 CHEMBL1447 Small molecule LINCOMYCIN 406.55 C18H34N2O6S NEUTRAL Details
B042698 CHEMBL1451 Small molecule TRIAMCINOLONE 394.44 C21H27FO6 NEUTRAL Details
B043523 CHEMBL1454 Small molecule LEVAMISOLE 204.3 C11H12N2S NEUTRAL Details
B043780 CHEMBL1454946 Small molecule FLUBENDAZOLE 313.29 C16H12FN3O3 NEUTRAL Details
B043795 CHEMBL1455 Small molecule ALTRETAMINE 210.28 C9H18N6 BASE Details
B044048 CHEMBL1456 Small molecule MYCOPHENOLATE MOFETIL 433.5 C23H31NO7 NEUTRAL Details
B044780 CHEMBL1458880 Small molecule CADMIUM DICHLORIDE 183.32 CdCl2 None Details
B045076 CHEMBL1460 Small molecule DIDANOSINE 236.23 C10H12N4O3 NEUTRAL Details
B045855 CHEMBL1463 Small molecule FLUCYTOSINE 129.09 C4H4FN3O NEUTRAL Details
B046132 CHEMBL1464 Small molecule WARFARIN 308.33 C19H16O4 ACID Details
B046647 CHEMBL1466 Small molecule DICUMAROL 336.3 C19H12O6 ACID Details
B046874 CHEMBL1467 Small molecule ALLOPURINOL 136.11 C5H4N4O NEUTRAL Details
B047578 CHEMBL146964 Small molecule -- 412.57 C23H40O6 ACID Details
B048287 CHEMBL147231 Small molecule -- 372.5 C20H36O6 ACID Details