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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     Mitogen-activated protein kinase kinase kinase 5
1174 records.
Compound ID Source ID Source Type Compound Name Molecular Weight Molecular Formula Molecular Species
B105683 CHEMBL1916359 Small molecule -- 419.67 C20H10Cl3FN2O NEUTRAL Details
B105685 CHEMBL1916996 Small molecule -- 332.36 C14H8N2O4S2 ACID Details
B105702 CHEMBL1922094 Small molecule APITOLISIB 498.61 C23H30N8O3S NEUTRAL Details
B105842 CHEMBL1927262 Small molecule -- 296.35 C17H17FN4 NEUTRAL Details
B105859 CHEMBL1929238 Small molecule -- 554.54 C25H33Cl2N5O3S NEUTRAL Details
B105995 CHEMBL1939876 Small molecule BI 4394 446.46 C24H22N4O5 ACID Details
B105997 CHEMBL1939880 Small molecule BI 4395 374.4 C21H18N4O3 ACID Details
B105999 CHEMBL194009 Small molecule -- 200.24 C12H12N2O NEUTRAL Details
B106003 CHEMBL1940980 Small molecule -- 401.4 C19H20FN5O4 ACID Details
B106004 CHEMBL1940981 Small molecule -- 382.4 C19H19FN6O2 NEUTRAL Details
B106005 CHEMBL1940987 Small molecule -- 412.42 C21H21FN4O4 ACID Details
B106006 CHEMBL1940990 Small molecule -- 393.42 C21H20FN5O2 NEUTRAL Details
B106018 CHEMBL1944698 Small molecule ZOTIRACICLIB 372.47 C23H24N4O NEUTRAL Details
B106067 CHEMBL1946170 Small molecule REGORAFENIB 482.82 C21H15ClF4N4O3 NEUTRAL Details
B106125 CHEMBL1950289 Small molecule TANZISERTIB 448.45 C21H23F3N6O2 NEUTRAL Details
B106208 CHEMBL1952329 Small molecule SGI-1776 405.42 C20H22F3N5O BASE Details
B106246 CHEMBL1957085 Small molecule -- 309.32 C17H15N3O3 NEUTRAL Details
B106248 CHEMBL1958071 Small molecule -- 377.48 C24H27NO3 NEUTRAL Details
B106289 CHEMBL1964275 Small molecule -- 467.61 C30H33N3O2 NEUTRAL Details
B106644 CHEMBL1971943 Small molecule BAY-549 402.79 C18H13ClF2N6O NEUTRAL Details
B106823 CHEMBL1976040 Small molecule ADAVOSERTIB 500.61 C27H32N8O2 NEUTRAL Details
B107177 CHEMBL1983111 Small molecule -- 474.49 C23H25F3N6O2 NEUTRAL Details
B107182 CHEMBL1983268 Small molecule ENTRECTINIB 560.65 C31H34F2N6O2 NEUTRAL Details
B108009 CHEMBL2001019 Small molecule PF-04217903 372.39 C19H16N8O NEUTRAL Details
B108134 CHEMBL200381 Small molecule -- 404.84 C21H14ClFN6 NEUTRAL Details
B108372 CHEMBL2012574 Small molecule -- 337.35 C17H18F3N3O BASE Details
B108440 CHEMBL2017974 Small molecule BUPARLISIB 410.4 C18H21F3N6O2 NEUTRAL Details
B108625 CHEMBL2028663 Small molecule DABRAFENIB 519.57 C23H20F3N5O2S2 NEUTRAL Details
B108658 CHEMBL2029988 Small molecule CEP-32496 517.46 C24H22F3N5O5 NEUTRAL Details
B108731 CHEMBL2035187 Small molecule PACRITINIB 472.59 C28H32N4O3 BASE Details
B108756 CHEMBL203644 Small molecule -- 355.76 C17H11ClFN5O NEUTRAL Details
B108931 CHEMBL2041933 Small molecule AZD-7762 362.43 C17H19FN4O2S BASE Details
B108932 CHEMBL2041958 Small molecule -- 374.42 C23H19FN2O2 NEUTRAL Details
B108933 CHEMBL2041962 Small molecule -- 414.48 C26H23FN2O2 NEUTRAL Details
B108935 CHEMBL204232 Small molecule NAPHTHYRIDINONE 514.8 C25H18Cl3N3O3 NEUTRAL Details
B108951 CHEMBL2042829 Small molecule -- 497.0 C25H29ClN6O3 NEUTRAL Details
B108990 CHEMBL2048872 Small molecule -- 379.49 C21H21N3O2S ZWITTERION Details
B108991 CHEMBL2048912 Small molecule -- 522.03 C25H24ClN7O2S BASE Details
B109158 CHEMBL206834 Small molecule BAFETINIB 576.63 C30H31F3N8O BASE Details
B109220 CHEMBL2079588 Small molecule TELATINIB 409.83 C20H16ClN5O3 NEUTRAL Details
B109267 CHEMBL2087361 Small molecule ICOTINIB 391.43 C22H21N3O4 NEUTRAL Details
B109371 CHEMBL2103830 Small molecule FOSTAMATINIB 580.47 C23H26FN6O9P ACID Details
B109372 CHEMBL2103839 Small molecule RIDAFOROLIMUS 990.22 C53H84NO14P NEUTRAL Details
B109374 CHEMBL2103840 Small molecule DINACICLIB 396.5 C21H28N6O2 NEUTRAL Details
B109376 CHEMBL2103842 Small molecule VARLITINIB 466.95 C22H19ClN6O2S NEUTRAL Details
B109377 CHEMBL2103851 Small molecule AMUVATINIB 447.52 C23H21N5O3S NEUTRAL Details
B109378 CHEMBL2103875 Small molecule TRAMETINIB 615.4 C26H23FIN5O4 NEUTRAL Details
B109379 CHEMBL2103882 Small molecule TIVANTINIB 369.42 C23H19N3O2 NEUTRAL Details
B109395 CHEMBL2105717 Small molecule CABOZANTINIB 501.51 C28H24FN3O5 NEUTRAL Details
B109397 CHEMBL2105728 Small molecule CRENOLANIB 443.55 C26H29N5O2 BASE Details
B109398 CHEMBL2105759 Small molecule BARICITINIB 371.43 C16H17N7O2S NEUTRAL Details
B109403 CHEMBL210618 Small molecule -- 356.38 C18H20N4O4 NEUTRAL Details
B109412 CHEMBL2107832 Small molecule PIMASERTIB 431.21 C15H15FIN3O3 NEUTRAL Details
B109413 CHEMBL210833 Small molecule -- 360.44 C18H20N2O4S NEUTRAL Details
B109430 CHEMBL2110732 Small molecule DACOMITINIB 469.95 C24H25ClFN5O2 BASE Details
B109495 CHEMBL21156 Small molecule -- 309.34 C18H16FN3O NEUTRAL Details
B110577 CHEMBL2133806 Small molecule JNJ-38877605 377.36 C19H13F2N7 NEUTRAL Details
B112082 CHEMBL2138625 Small molecule -- 507.01 C27H28ClFN6O NEUTRAL Details
B112593 CHEMBL2140408 Small molecule AMG-900 503.59 C28H21N7OS NEUTRAL Details
B114125 CHEMBL2146883 Small molecule COBIMETINIB 531.32 C21H21F3IN3O2 BASE Details
B114144 CHEMBL2148053 Small molecule -- 734.68 C32H33Cl2N5O7S2 NEUTRAL Details
B114153 CHEMBL215152 Small molecule AZD-1152-HQPA 507.57 C26H30FN7O3 BASE Details
B114157 CHEMBL2152944 Small molecule Skepinone-L 425.43 C24H21F2NO4 NEUTRAL Details
B114358 CHEMBL2165191 Small molecule AZD-6482 408.46 C22H24N4O4 ACID Details
B114366 CHEMBL216543 Small molecule -- 277.28 C16H11N3O2 NEUTRAL Details
B114376 CHEMBL2170610 Small molecule BI 9627 356.35 C16H19F3N4O2 NEUTRAL Details
B114377 CHEMBL217092 Small molecule SARACATINIB 542.04 C27H32ClN5O5 NEUTRAL Details
B114448 CHEMBL2180604 Small molecule TAK-593 445.48 C23H23N7O3 NEUTRAL Details
B114621 CHEMBL2204283 Small molecule MSD-M1PAM-NC 441.54 C26H27N5O2 NEUTRAL Details
B114627 CHEMBL2204495 Small molecule -- 399.43 C24H18FN3O2 NEUTRAL Details
B114628 CHEMBL2204538 Small molecule THPP-1 464.91 C23H21ClN6O3 NEUTRAL Details
B114678 CHEMBL2205625 Small molecule -- 324.45 C19H20N2OS NEUTRAL Details
B114679 CHEMBL2205626 Small molecule -- 307.4 C19H21N3O NEUTRAL Details
B114680 CHEMBL2205627 Small molecule -- 311.36 C18H18FN3O NEUTRAL Details
B114681 CHEMBL2205628 Small molecule -- 327.82 C18H18ClN3O NEUTRAL Details
B114682 CHEMBL2205629 Small molecule -- 372.27 C18H18BrN3O NEUTRAL Details
B114684 CHEMBL2205630 Small molecule -- 323.4 C19H21N3O2 NEUTRAL Details
B114685 CHEMBL2205631 Small molecule -- 336.44 C20H24N4O BASE Details
B114686 CHEMBL2205632 Small molecule -- 369.47 C24H23N3O NEUTRAL Details
B114687 CHEMBL2205633 Small molecule -- 370.46 C23H22N4O NEUTRAL Details
B114688 CHEMBL2205634 Small molecule -- 358.45 C22H22N4O NEUTRAL Details
B114689 CHEMBL2205635 Small molecule -- 375.43 C21H21N5O2 NEUTRAL Details
B114690 CHEMBL2205636 Small molecule -- 361.41 C20H19N5O2 NEUTRAL Details
B114692 CHEMBL2205766 Small molecule -- 346.42 C15H18N6O2S NEUTRAL Details
B114778 CHEMBL221271 Small molecule -- 318.25 C12H10N6O5 NEUTRAL Details
B114792 CHEMBL2216870 Small molecule IDELALISIB 415.43 C22H18FN7O NEUTRAL Details
B114801 CHEMBL2218925 Small molecule -- 343.22 C17H15BrN2O NEUTRAL Details
B114802 CHEMBL2218926 Small molecule -- 305.17 C14H13BrN2O NEUTRAL Details
B114803 CHEMBL2218927 Small molecule -- 280.36 C15H12N4S NEUTRAL Details
B114804 CHEMBL2218929 Small molecule -- 287.32 C18H13N3O NEUTRAL Details
B114805 CHEMBL2218930 Small molecule -- 473.55 C26H23N3O4S NEUTRAL Details
B114806 CHEMBL2218931 Small molecule -- 376.48 C18H24N4O3S NEUTRAL Details
B114807 CHEMBL2218932 Small molecule -- 340.59 C15H8Cl3NO2 ACID Details
B114808 CHEMBL2218934 Small molecule -- 257.27 C12H7N3O2S NEUTRAL Details
B114809 CHEMBL2218935 Small molecule -- 365.5 C21H23N3OS BASE Details
B114810 CHEMBL2218936 Small molecule -- 567.11 C29H31ClN4O4S NEUTRAL Details
B114811 CHEMBL2218938 Small molecule -- 328.34 C18H12N6O ACID Details
B114812 CHEMBL2218939 Small molecule -- 361.47 C21H19N3OS NEUTRAL Details
B114813 CHEMBL2218940 Small molecule -- 335.35 C16H12F3N3S NEUTRAL Details
B114814 CHEMBL2218941 Small molecule -- 398.22 C18H12BrN3O3 NEUTRAL Details