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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Caspase-14897 records.
Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
---|---|---|---|---|---|---|---|
B117972 | CHEMBL286398 | Small molecule | PROPYLENE GLYCOL | 76.09 | C3H8O2 | NEUTRAL | Details |
B117975 | CHEMBL286519 | Small molecule | -- | 587.67 | C33H37N3O7 | ACID | Details |
B117979 | CHEMBL286893 | Small molecule | -- | 333.38 | C18H23NO5 | ACID | Details |
B117980 | CHEMBL286945 | Small molecule | -- | 320.35 | C16H20N2O5 | ACID | Details |
B117981 | CHEMBL287020 | Small molecule | -- | 611.7 | C35H37N3O7 | ACID | Details |
B117985 | CHEMBL287440 | Small molecule | -- | 567.6 | C32H29N3O7 | ACID | Details |
B117988 | CHEMBL287689 | Small molecule | -- | 470.86 | C27H15ClO6 | ACID | Details |
B117989 | CHEMBL287763 | Small molecule | -- | 841.87 | C39H51N7O14 | ACID | Details |
B117990 | CHEMBL288001 | Small molecule | -- | 610.66 | C31H38N4O9 | ACID | Details |
B117992 | CHEMBL288154 | Small molecule | -- | 595.65 | C30H37N5O8 | ACID | Details |
B117993 | CHEMBL288160 | Small molecule | -- | 534.57 | C25H34N4O9 | ACID | Details |
B117995 | CHEMBL288257 | Small molecule | -- | 609.68 | C31H39N5O8 | ACID | Details |
B117997 | CHEMBL288345 | Small molecule | -- | 827.8 | C37H45N7O15 | ACID | Details |
B118002 | CHEMBL288644 | Small molecule | -- | 771.78 | C36H45N5O14 | ACID | Details |
B118006 | CHEMBL289184 | Small molecule | -- | 609.68 | C31H39N5O8 | ACID | Details |
B118010 | CHEMBL289386 | Small molecule | -- | 709.71 | C31H43N5O14 | ACID | Details |
B118011 | CHEMBL289469 | Small molecule | GRANISETRON | 312.42 | C18H24N4O | BASE | Details |
B118012 | CHEMBL289538 | Small molecule | -- | 841.87 | C39H51N7O14 | ACID | Details |
B118013 | CHEMBL289542 | Small molecule | -- | 625.68 | C31H39N5O9 | ACID | Details |
B118021 | CHEMBL29 | Small molecule | BENZYLPENICILLIN | 334.4 | C16H18N2O4S | ACID | Details |
B118025 | CHEMBL290106 | Small molecule | BITHIONOL | 356.06 | C12H6Cl4O2S | ACID | Details |
B118031 | CHEMBL290756 | Small molecule | -- | 666.73 | C33H42N6O9 | ACID | Details |
B118032 | CHEMBL290783 | Small molecule | -- | 503.94 | C24H26ClN3O7 | ACID | Details |
B118035 | CHEMBL290916 | Small molecule | EDARAVONE | 174.2 | C10H10N2O | NEUTRAL | Details |
B118038 | CHEMBL291290 | Small molecule | -- | 596.64 | C30H36N4O9 | ACID | Details |
B118039 | CHEMBL291338 | Small molecule | 3,3',4',5-TETRACHLOROSALICYLANILIDE | 351.02 | C13H7Cl4NO2 | ACID | Details |
B118041 | CHEMBL291934 | Small molecule | -- | 645.59 | C30H30F3N5O8 | ACID | Details |
B118044 | CHEMBL291971 | Small molecule | -- | 771.08 | C35H27ClF4N6O8 | ACID | Details |
B118055 | CHEMBL29292 | Small molecule | UBENIMEX | 308.38 | C16H24N2O4 | ACID | Details |
B118056 | CHEMBL293034 | Small molecule | -- | 400.46 | C20H20N2O5S | NEUTRAL | Details |
B118057 | CHEMBL293300 | Small molecule | -- | 551.68 | C31H41N3O6 | ACID | Details |
B118060 | CHEMBL293492 | Small molecule | CINNAMALDEHYDE | 132.16 | C9H8O | NEUTRAL | Details |
B118064 | CHEMBL293606 | Small molecule | -- | 656.57 | C30H27F3N6O8 | ACID | Details |
B118065 | CHEMBL293622 | Small molecule | -- | 206.16 | C9H6N2O4 | NEUTRAL | Details |
B118066 | CHEMBL293742 | Small molecule | -- | 741.59 | C34H34Cl2N6O9 | ACID | Details |
B118071 | CHEMBL293979 | Small molecule | -- | 518.48 | C23H26N4O10 | ACID | Details |
B118075 | CHEMBL294195 | Small molecule | -- | 699.48 | C32H25Cl2FN4O9 | ACID | Details |
B118076 | CHEMBL294199 | Small molecule | CAPSAICIN | 305.42 | C18H27NO3 | NEUTRAL | Details |
B118085 | CHEMBL295316 | Small molecule | PLUMBAGIN | 188.18 | C11H8O3 | NEUTRAL | Details |
B118086 | CHEMBL295416 | Small molecule | PIRINIXIC ACID | 323.81 | C14H14ClN3O2S | ACID | Details |
B118089 | CHEMBL29601 | Small molecule | -- | 382.37 | C20H18N2O6 | ACID | Details |
B118093 | CHEMBL296419 | Small molecule | ASTEMIZOLE | 458.58 | C28H31FN4O | BASE | Details |
B118116 | CHEMBL299286 | Small molecule | -- | 677.49 | C30H30Cl2N4O10 | ACID | Details |
B118117 | CHEMBL299288 | Small molecule | -- | 462.43 | C21H23FN4O7 | ACID | Details |
B118122 | CHEMBL299674 | Small molecule | -- | 787.15 | C35H27ClF4N6O7S | ACID | Details |
B118128 | CHEMBL3 | Small molecule | NICOTINE | 162.24 | C10H14N2 | BASE | Details |
B118129 | CHEMBL30 | Small molecule | CIMETIDINE | 252.35 | C10H16N6S | NEUTRAL | Details |
B118132 | CHEMBL30008 | Small molecule | FLUNARIZINE | 404.5 | C26H26F2N2 | NEUTRAL | Details |
B118141 | CHEMBL300814 | Small molecule | FLAVANONE | 254.24 | C15H10O4 | NEUTRAL | Details |
B118149 | CHEMBL301429 | Small molecule | -- | 689.67 | C31H30F3N5O8S | ACID | Details |
B118152 | CHEMBL301559 | Small molecule | -- | 247.38 | C16H25NO | BASE | Details |
B118154 | CHEMBL302041 | Small molecule | -- | 413.43 | C21H23N3O6 | ACID | Details |
B118155 | CHEMBL302066 | Small molecule | -- | 649.46 | C30H31Cl2N2O8P | ACID | Details |
B118158 | CHEMBL302314 | Small molecule | -- | 553.4 | C25H26Cl2N2O8 | ACID | Details |
B118161 | CHEMBL302480 | Small molecule | -- | 548.55 | C28H28N4O8 | ACID | Details |
B118166 | CHEMBL302795 | Small molecule | TENOXICAM | 337.38 | C13H11N3O4S2 | ACID | Details |
B118167 | CHEMBL302920 | Small molecule | -- | 720.54 | C33H36Cl2N3O9P | ACID | Details |
B118173 | CHEMBL30327 | Small molecule | 2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN | 321.97 | C12H4Cl4O2 | NEUTRAL | Details |
B118184 | CHEMBL30360 | Small molecule | -- | 307.3 | C15H17NO6 | ACID | Details |
B118195 | CHEMBL3039597 | Small molecule | GENTAMICIN | 1390.73 | C60H123N15O21 | None | Details |
B118201 | CHEMBL30411 | Small molecule | -- | 357.36 | C19H19NO6 | ACID | Details |
B118203 | CHEMBL30415 | Small molecule | -- | 363.37 | C18H21NO7 | ACID | Details |
B118204 | CHEMBL30420 | Small molecule | -- | 396.44 | C22H24N2O5 | ACID | Details |
B118222 | CHEMBL305545 | Small molecule | -- | 280.31 | C12H12N2O4S | NEUTRAL | Details |
B118225 | CHEMBL305660 | Small molecule | EBASTINE | 469.67 | C32H39NO2 | NEUTRAL | Details |
B118231 | CHEMBL305978 | Small molecule | -- | 262.27 | C16H10N2O2 | NEUTRAL | Details |
B118232 | CHEMBL306043 | Small molecule | GOLD SODIUM THIOMALATE | 346.11 | C4H5AuO4S | None | Details |
B118238 | CHEMBL306324 | Small molecule | -- | 322.32 | C15H18N2O6 | ACID | Details |
B118250 | CHEMBL30664 | Small molecule | -- | 415.4 | C21H21NO8 | ACID | Details |
B118265 | CHEMBL307114 | Small molecule | -- | 557.43 | C28H26Cl2N2O6 | NEUTRAL | Details |
B118266 | CHEMBL307145 | Small molecule | PYROGALLOL | 126.11 | C6H6O3 | NEUTRAL | Details |
B118267 | CHEMBL30719 | Small molecule | -- | 428.44 | C22H24N2O7 | ACID | Details |
B118271 | CHEMBL30730 | Small molecule | -- | 387.39 | C20H21NO7 | ACID | Details |
B118280 | CHEMBL307573 | Protein | -- | 423.42 | C19H25N3O8 | ACID | Details |
B118306 | CHEMBL30847 | Small molecule | -- | 369.41 | C18H27NO7 | ACID | Details |
B118317 | CHEMBL3084803 | Small molecule | ASTROMICIN | 405.5 | C17H35N5O6 | BASE | Details |
B118321 | CHEMBL308500 | Small molecule | -- | 464.52 | C22H32N4O7 | ACID | Details |
B118338 | CHEMBL308700 | Small molecule | -- | 413.43 | C21H23N3O6 | ACID | Details |
B118379 | CHEMBL308921 | Small molecule | -- | 455.51 | C24H29N3O6 | ACID | Details |
B118382 | CHEMBL30902 | Small molecule | -- | 350.33 | C16H18N2O7 | ACID | Details |
B118384 | CHEMBL309065 | Small molecule | -- | 468.29 | C21H19Cl2NO7 | ACID | Details |
B118391 | CHEMBL30927 | Small molecule | -- | 364.35 | C17H20N2O7 | ACID | Details |
B118431 | CHEMBL30983 | Small molecule | -- | 361.35 | C18H19NO7 | ACID | Details |
B118434 | CHEMBL30989 | Small molecule | -- | 348.4 | C18H24N2O5 | ACID | Details |
B118439 | CHEMBL3099899 | Small molecule | -- | 494.38 | C26H21Cl2N3O3 | NEUTRAL | Details |
B118440 | CHEMBL31 | Small molecule | GATIFLOXACIN | 375.4 | C19H22FN3O4 | ZWITTERION | Details |
B118454 | CHEMBL31042 | Small molecule | -- | 357.36 | C19H19NO6 | ACID | Details |
B118528 | CHEMBL31053 | Small molecule | -- | 410.47 | C23H26N2O5 | ACID | Details |
B118547 | CHEMBL310555 | Small molecule | OXYQUINOLINE | 145.16 | C9H7NO | NEUTRAL | Details |
B118549 | CHEMBL31061 | Small molecule | -- | 426.43 | C22H22N2O7 | ACID | Details |
B118573 | CHEMBL31094 | Small molecule | -- | 423.43 | C22H21N3O6 | ACID | Details |
B118631 | CHEMBL311315 | Protein | -- | 476.53 | C23H32N4O7 | ACID | Details |
B118632 | CHEMBL311350 | Small molecule | PIROMIDIC ACID | 288.31 | C14H16N4O3 | ACID | Details |
B118633 | CHEMBL31138 | Small molecule | -- | 400.39 | C20H20N2O7 | ACID | Details |
B118635 | CHEMBL31139 | Small molecule | -- | 400.39 | C20H20N2O7 | ACID | Details |
B118637 | CHEMBL31140 | Small molecule | -- | 348.4 | C18H24N2O5 | ACID | Details |
B118657 | CHEMBL311467 | Small molecule | -- | 705.5 | C30H23Cl2FN4O9S | ACID | Details |
B118658 | CHEMBL311469 | Small molecule | 2-ACETYLAMINOFLUORENE | 223.27 | C15H13NO | NEUTRAL | Details |
B118706 | CHEMBL31184 | Small molecule | BENZO[DEF]CHRYSENE | 252.32 | C20H12 | None | Details |
B118727 | CHEMBL312420 | Small molecule | -- | 659.41 | C29H21Cl2FN4O9 | ACID | Details |