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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6296 records.
Compound ID Source ID Source Type Compound Name Molecular Weight Molecular Formula Molecular Species
B124321 CHEMBL322361 Small molecule -- 326.44 C21H26O3 ACID Details
B124497 CHEMBL324842 Small molecule ROSMARINIC ACID 360.32 C18H16O8 ACID Details
B124508 CHEMBL325405 Small molecule -- 330.37 C20H15FN4 NEUTRAL Details
B124588 CHEMBL3261318 Small molecule -- 316.36 C17H20N2O4 ACID Details
B124589 CHEMBL3261319 Small molecule -- 336.78 C16H17ClN2O4 ACID Details
B124590 CHEMBL3261320 Small molecule -- 357.19 C15H14Cl2N2O4 ACID Details
B124591 CHEMBL3261321 Small molecule -- 446.1 C15H14Br2N2O4 ACID Details
B124592 CHEMBL3261322 Small molecule -- 460.12 C16H16Br2N2O4 ACID Details
B124593 CHEMBL3261323 Small molecule -- 371.22 C16H16Cl2N2O4 ACID Details
B124594 CHEMBL3261324 Small molecule -- 372.21 C15H15Cl2N3O4 ACID Details
B124595 CHEMBL3261325 Small molecule -- 386.19 C15H13Cl2N3O5 ACID Details
B124596 CHEMBL3261326 Small molecule -- 355.22 C16H16Cl2N2O3 ACID Details
B124597 CHEMBL3261327 Small molecule -- 444.12 C16H16Br2N2O3 ACID Details
B124598 CHEMBL3261328 Small molecule -- 373.26 C15H14Cl2N2O3S ACID Details
B124599 CHEMBL3261329 Small molecule -- 389.26 C15H14Cl2N2O4S ACID Details
B124600 CHEMBL3261330 Small molecule -- 405.26 C15H14Cl2N2O5S ACID Details
B124601 CHEMBL3261331 Small molecule RESMETIROM 435.23 C17H12Cl2N6O4 ACID Details
B124602 CHEMBL3261332 Small molecule -- 433.26 C18H14Cl2N6O3 ACID Details
B124603 CHEMBL3261333 Small molecule -- 449.25 C18H14Cl2N6O4 ACID Details
B124604 CHEMBL3261334 Small molecule -- 447.28 C19H16Cl2N6O3 ACID Details
B124605 CHEMBL3261335 Small molecule -- 410.22 C16H13Cl2N5O4 NEUTRAL Details
B124606 CHEMBL3261336 Small molecule -- 408.25 C17H15Cl2N5O3 NEUTRAL Details
B124741 CHEMBL3264932 Small molecule -- 609.8 C35H39N5O3S NEUTRAL Details
B124745 CHEMBL3264936 Small molecule -- 714.93 C43H46N4O4S NEUTRAL Details
B124755 CHEMBL326563 Small molecule SETHOXYDIM 327.49 C17H29NO3S ACID Details
B124867 CHEMBL329673 Small molecule -- 256.35 C20H16 None Details
B124963 CHEMBL330814 Small molecule -- 291.35 C18H17N3O NEUTRAL Details
B125033 CHEMBL331703 Small molecule -- 404.5 C22H20N4O2S NEUTRAL Details
B125070 CHEMBL332344 Small molecule -- 360.85 C21H17ClN4 NEUTRAL Details
B125126 CHEMBL332935 Small molecule -- 414.6 C27H34N4+2 NEUTRAL Details
B125173 CHEMBL333298 Small molecule -- 104.17 C4H8OS NEUTRAL Details
B125273 CHEMBL333650 Small molecule -- 472.52 C22H24N4O6S ACID Details
B125305 CHEMBL333798 Small molecule -- 347.31 C18H13F4N3 NEUTRAL Details
B125370 CHEMBL334255 Small molecule CETYLPYRIDINIUM BROMIDE 384.45 C21H38BrN NEUTRAL Details
B125393 CHEMBL3351063 Small molecule -- 554.65 C27H26N2O7S2 ACID Details
B125394 CHEMBL3351065 Small molecule -- 739.96 C41H45N3O6S2 ACID Details
B125635 CHEMBL337173 Small molecule -- 321.76 C15H16ClN3O3 NEUTRAL Details
B125645 CHEMBL337702 Small molecule OXIDOPAMINE 169.18 C8H11NO3 BASE Details
B125664 CHEMBL33845 Small molecule DICHLOROPHEN 269.13 C13H10Cl2O2 NEUTRAL Details
B125668 CHEMBL338602 Small molecule -- 489.32 C22H18Cl2N4O5 NEUTRAL Details
B125669 CHEMBL33864 Small molecule LIPOIC ACID, ALPHA 206.33 C8H14O2S2 ACID Details
B125673 CHEMBL338790 Small molecule -- 212.21 C12H8N2O2 NEUTRAL Details
B125701 CHEMBL3392017 Small molecule -- 436.53 C21H28N2O6S ACID Details
B125710 CHEMBL3392041 Small molecule -- 313.45 C16H15N3S2 NEUTRAL Details
B125711 CHEMBL3392043 Small molecule -- 391.88 C18H18ClN3O3S NEUTRAL Details
B125718 CHEMBL3392067 Small molecule -- 266.39 C12H14N2OS2 NEUTRAL Details
B125720 CHEMBL3392069 Small molecule -- 240.26 C14H12N2O2 NEUTRAL Details
B125722 CHEMBL3392357 Small molecule -- 438.5 C20H26N2O7S NEUTRAL Details
B125723 CHEMBL3392368 Small molecule -- 408.43 C18H20N2O7S NEUTRAL Details
B125724 CHEMBL3392373 Small molecule -- 435.5 C20H25N3O6S NEUTRAL Details
B125725 CHEMBL3392374 Small molecule -- 461.57 C21H23N3O5S2 NEUTRAL Details
B125726 CHEMBL3392375 Small molecule -- 427.44 C17H21N3O8S NEUTRAL Details
B125727 CHEMBL3392388 Small molecule -- 450.51 C21H26N2O7S NEUTRAL Details
B125728 CHEMBL3392394 Small molecule -- 434.43 C19H18N2O8S NEUTRAL Details
B125729 CHEMBL3392399 Small molecule -- 393.47 C18H23N3O5S NEUTRAL Details
B125730 CHEMBL3392409 Small molecule -- 422.42 C18H18N2O8S NEUTRAL Details
B125731 CHEMBL3392415 Small molecule -- 410.38 C17H15FN2O7S NEUTRAL Details
B125732 CHEMBL3392423 Small molecule -- 512.58 C26H28N2O7S NEUTRAL Details
B125733 CHEMBL3392427 Small molecule -- 340.81 C13H9ClN2O3S2 ACID Details
B125734 CHEMBL3392429 Small molecule -- 433.4 C18H15N3O8S NEUTRAL Details
B125735 CHEMBL3392466 Small molecule -- 436.49 C20H24N2O7S NEUTRAL Details
B125736 CHEMBL3392469 Small molecule -- 489.62 C23H27N3O5S2 NEUTRAL Details
B125737 CHEMBL3392475 Small molecule -- 462.36 C17H13F3N2O8S NEUTRAL Details
B125738 CHEMBL3392476 Small molecule -- 464.54 C22H28N2O7S NEUTRAL Details
B125739 CHEMBL3392487 Small molecule -- 480.8 C17H12ClF3N2O7S NEUTRAL Details
B125740 CHEMBL3392490 Small molecule -- 386.38 C15H18N2O8S NEUTRAL Details
B125741 CHEMBL3392492 Small molecule -- 450.51 C21H26N2O7S NEUTRAL Details
B125742 CHEMBL3392496 Small molecule -- 475.59 C22H25N3O5S2 NEUTRAL Details
B125805 CHEMBL3397333 Small molecule -- 339.39 C20H21NO4 ACID Details
B125806 CHEMBL3397334 Small molecule -- 353.42 C21H23NO4 ACID Details
B125807 CHEMBL3397335 Small molecule -- 353.42 C21H23NO4 ACID Details
B125808 CHEMBL3397336 Small molecule -- 353.42 C21H23NO4 ACID Details
B125809 CHEMBL3397337 Small molecule -- 373.84 C20H20ClNO4 ACID Details
B125810 CHEMBL3397338 Small molecule -- 367.45 C22H25NO4 ACID Details
B125811 CHEMBL3397339 Small molecule -- 387.86 C21H22ClNO4 ACID Details
B125812 CHEMBL3397340 Small molecule -- 367.45 C22H25NO4 ACID Details
B125813 CHEMBL3397341 Small molecule -- 387.86 C21H22ClNO4 ACID Details
B125814 CHEMBL3397342 Small molecule -- 367.45 C22H25NO4 ACID Details
B125815 CHEMBL3397343 Small molecule -- 401.46 C25H23NO4 ACID Details
B125816 CHEMBL3397344 Small molecule -- 379.46 C23H25NO4 ACID Details
B125817 CHEMBL3397345 Small molecule -- 407.51 C25H29NO4 ACID Details
B125818 CHEMBL3397346 Small molecule -- 387.44 C24H21NO4 ACID Details
B125819 CHEMBL3397347 Small molecule -- 393.48 C24H27NO4 ACID Details
B125951 CHEMBL340158 Small molecule -- 527.39 C21H20Cl2N4O6S ACID Details
B126019 CHEMBL340490 Small molecule -- 456.89 C22H21ClN4O5 ACID Details
B126192 CHEMBL345635 Small molecule -- 218.3 C13H18N2O ACID Details
B126201 CHEMBL346516 Small molecule METHYL PARATHIONE 263.21 C8H10NO5PS None Details
B126229 CHEMBL350221 Small molecule OXITRIPTAN 220.23 C11H12N2O3 ZWITTERION Details
B126329 CHEMBL356918 Small molecule ENILCONAZOLE 297.19 C14H14Cl2N2O NEUTRAL Details
B126513 CHEMBL3596632 Small molecule -- 518.31 C23H16Cl2F4N2O3 NEUTRAL Details
B126569 CHEMBL359744 Small molecule DOXORUBICIN HYDROCHLORIDE 579.99 C27H30ClNO11 BASE Details
B126952 CHEMBL363614 Small molecule BENZOFURAN 118.13 C8H6O NEUTRAL Details
B127340 CHEMBL364368 Small molecule -- 443.59 C29H33NO3 NEUTRAL Details
B127417 CHEMBL364900 Small molecule -- 354.49 C14H9Cl5 None Details
B127497 CHEMBL365343 Small molecule -- 176.22 C10H12N2O NEUTRAL Details
B128879 CHEMBL366861 Small molecule FUMARPROTOCETRARIC ACID 472.36 C22H16O12 ACID Details
B130782 CHEMBL36994 Small molecule ANIRACETAM 219.24 C12H13NO3 NEUTRAL Details
B131149 CHEMBL371245 Small molecule -- 392.03 C14H9BrCl2O4 ACID Details
B131193 CHEMBL372428 Small molecule -- 483.15 C20H14BrCl2NO4 ACID Details
B131807 CHEMBL374107 Small molecule 8-AZAGUANINE 152.12 C4H4N6O NEUTRAL Details