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 | |
|---|---|---|---|---|---|---|---|
| B001083 | CHEMBL111839 | Small molecule | -- | 492.53 | C23H32N4O8 | ACID | Details |
| B001085 | CHEMBL111938 | Small molecule | -- | 638.76 | C34H46N4O8 | ACID | Details |
| B001087 | CHEMBL111965 | Small molecule | -- | 582.66 | C33H34N4O6 | ACID | Details |
| B001091 | CHEMBL112 | Small molecule | ACETAMINOPHEN | 151.16 | C8H9NO2 | NEUTRAL | Details |
| B001092 | CHEMBL112055 | Small molecule | -- | 534.57 | C25H34N4O9 | ACID | Details |
| B001095 | CHEMBL112207 | Small molecule | -- | 658.82 | C33H46N4O8S | ACID | Details |
| B001097 | CHEMBL1123 | Small molecule | DICYCLOMINE | 309.49 | C19H35NO2 | BASE | Details |
| B001098 | CHEMBL112370 | Protein | -- | 633.49 | C29H30Cl2N4O8 | ACID | Details |
| B001099 | CHEMBL112464 | Protein | -- | 563.61 | C29H33N5O7 | ACID | Details |
| B001111 | CHEMBL113 | Small molecule | CAFFEINE | 194.19 | C8H10N4O2 | NEUTRAL | Details |
| B001112 | CHEMBL1130 | Small molecule | DOXIFLURIDINE | 246.19 | C9H11FN2O5 | NEUTRAL | Details |
| B001114 | CHEMBL113012 | Protein | -- | 599.04 | C29H31ClN4O8 | ACID | Details |
| B001117 | CHEMBL11308 | Small molecule | -- | 271.29 | C16H14FNO2 | NEUTRAL | Details |
| B001126 | CHEMBL11359 | Small molecule | CISPLATIN | 300.05 | H6Cl2N2Pt+2 | None | Details |
| B001130 | CHEMBL114 | Small molecule | SAQUINAVIR | 670.86 | C38H50N6O5 | NEUTRAL | Details |
| B001131 | CHEMBL1140 | Small molecule | NIACINAMIDE | 122.13 | C6H6N2O | NEUTRAL | Details |
| B001132 | CHEMBL1142 | Small molecule | 4-AMINOPHENOL | 109.13 | C6H7NO | NEUTRAL | Details |
| B001135 | CHEMBL114330 | Small molecule | -- | 506.56 | C24H34N4O8 | ACID | Details |
| B001137 | CHEMBL1144 | Small molecule | PRAVASTATIN | 424.53 | C23H36O7 | ACID | Details |
| B001139 | CHEMBL114531 | Small molecule | -- | 701.7 | C34H38F3N5O8 | ACID | Details |
| B001144 | CHEMBL114791 | Small molecule | -- | 499.52 | C28H25N3O6 | ACID | Details |
| B001145 | CHEMBL1148 | Small molecule | TORSEMIDE | 348.43 | C16H20N4O3S | ACID | Details |
| B001146 | CHEMBL114830 | Small molecule | -- | 544.63 | C26H32N4O7S | ACID | Details |
| B001147 | CHEMBL114896 | Small molecule | -- | 687.51 | C30H24Cl2N4O9S | ACID | Details |
| B001149 | CHEMBL1149 | Small molecule | LEVOCARNITINE | 161.2 | C7H15NO3 | ACID | Details |
| B001150 | CHEMBL114952 | Small molecule | -- | 562.58 | C29H30N4O8 | ACID | Details |
| B001151 | CHEMBL115 | Small molecule | INDINAVIR | 613.8 | C36H47N5O4 | NEUTRAL | Details |
| B001153 | CHEMBL115090 | Small molecule | -- | 582.66 | C33H34N4O6 | ACID | Details |
| B001155 | CHEMBL115252 | Small molecule | -- | 427.48 | C22H21NO6S | ACID | Details |
| B001160 | CHEMBL115328 | Small molecule | -- | 431.45 | C21H25N3O7 | ACID | Details |
| B001161 | CHEMBL115336 | Small molecule | -- | 610.67 | C34H34N4O7 | ACID | Details |
| B001166 | CHEMBL115598 | Protein | -- | 488.5 | C23H28N4O8 | ACID | Details |
| B001168 | CHEMBL115620 | Protein | -- | 564.6 | C29H32N4O8 | ACID | Details |
| B001172 | CHEMBL115769 | Small molecule | -- | 334.35 | C19H15FN4O | NEUTRAL | Details |
| B001174 | CHEMBL115823 | Small molecule | -- | 551.64 | C30H37N3O7 | ACID | Details |
| B001176 | CHEMBL115952 | Small molecule | -- | 620.66 | C32H36N4O9 | ACID | Details |
| B001177 | CHEMBL1159650 | Small molecule | CLOBETASOL PROPIONATE | 466.98 | C25H32ClFO5 | NEUTRAL | Details |
| B001179 | CHEMBL116 | Small molecule | AMPRENAVIR | 505.64 | C25H35N3O6S | NEUTRAL | Details |
| B001186 | CHEMBL1160544 | Small molecule | TERBUTALINE SULFATE | 323.37 | C12H21NO7S | BASE | Details |
| B001193 | CHEMBL116124 | Small molecule | -- | 583.64 | C30H37N3O9 | ACID | Details |
| B001221 | CHEMBL1162 | Small molecule | NORETHINDRONE | 298.43 | C20H26O2 | NEUTRAL | Details |
| B001227 | CHEMBL116228 | Protein | -- | 488.5 | C23H28N4O8 | ACID | Details |
| B001299 | CHEMBL1167 | Small molecule | SPECTINOMYCIN | 332.35 | C14H24N2O7 | BASE | Details |
| B001301 | CHEMBL1168 | Small molecule | RAMIPRIL | 416.52 | C23H32N2O5 | ACID | Details |
| B001303 | CHEMBL1169 | Small molecule | AMINOSALICYLIC ACID | 153.14 | C7H7NO3 | ACID | Details |
| B001412 | CHEMBL1172 | Small molecule | DESLORATADINE | 310.83 | C19H19ClN2 | BASE | Details |
| B001499 | CHEMBL117405 | Small molecule | -- | 248.33 | C14H20N2O2 | BASE | Details |
| B001503 | CHEMBL1177 | Small molecule | PEMOLINE | 176.18 | C9H8N2O2 | NEUTRAL | Details |
| B001512 | CHEMBL118 | Small molecule | CELECOXIB | 381.38 | C17H14F3N3O2S | NEUTRAL | Details |
| B001525 | CHEMBL1182777 | Small molecule | -- | 314.3 | C19H10N2O3 | ACID | Details |
| B001574 | CHEMBL1191 | Small molecule | SULFAMETHIZOLE | 270.34 | C9H10N4O2S2 | NEUTRAL | Details |
| B001581 | CHEMBL119385 | Small molecule | NEFLAMAPIMOD | 436.27 | C19H9Cl2F2N3OS | None | Details |
| B001582 | CHEMBL1194 | Small molecule | PRILOCAINE | 220.32 | C13H20N2O | BASE | Details |
| B001584 | CHEMBL119443 | Small molecule | ERGONOVINE | 325.41 | C19H23N3O2 | NEUTRAL | Details |
| B001590 | CHEMBL1196 | Small molecule | PROPARACAINE | 294.39 | C16H26N2O3 | BASE | Details |
| B001602 | CHEMBL1198 | Small molecule | PRAMOXINE | 293.41 | C17H27NO3 | NEUTRAL | Details |
| B001619 | CHEMBL12 | Small molecule | DIAZEPAM | 284.75 | C16H13ClN2O | NEUTRAL | Details |
| B001630 | CHEMBL1200391 | Small molecule | TROMETHAMINE | 121.14 | C4H11NO3 | BASE | Details |
| B001631 | CHEMBL1200396 | Small molecule | BUPIVACAINE HYDROCHLORIDE | 324.9 | C18H29ClN2O | NEUTRAL | Details |
| B001633 | CHEMBL1200406 | Small molecule | DIMENHYDRINATE | 469.97 | C24H28ClN5O3 | None | Details |
| B001636 | CHEMBL1200431 | Small molecule | GADOPENTETATE DIMEGLUMINE | 742.79 | C21H37GdN4O15 | None | Details |
| B001651 | CHEMBL1200528 | Small molecule | CHROMIC CHLORIDE | 158.36 | Cl3Cr | None | Details |
| B001653 | CHEMBL1200545 | Small molecule | DIFLORASONE DIACETATE | 494.53 | C26H32F2O7 | NEUTRAL | Details |
| B001654 | CHEMBL1200558 | Protein | BACITRACIN | 1422.72 | C66H103N17O16S | None | Details |
| B001655 | CHEMBL1200559 | Small molecule | LACTIC ACID | 90.08 | C3H6O3 | ACID | Details |
| B001656 | CHEMBL1200585 | Small molecule | OXYMETHOLONE | 332.48 | C21H32O3 | NEUTRAL | Details |
| B001658 | CHEMBL1200600 | Small molecule | FLUOROMETHOLONE | 376.47 | C22H29FO4 | NEUTRAL | Details |
| B001659 | CHEMBL1200604 | Small molecule | TROPICAMIDE | 284.36 | C17H20N2O2 | NEUTRAL | Details |
| B001661 | CHEMBL1200623 | Small molecule | ETHYLESTRENOL | 288.48 | C20H32O | NEUTRAL | Details |
| B001662 | CHEMBL1200624 | Small molecule | ETHYNODIOL DIACETATE | 384.52 | C24H32O4 | NEUTRAL | Details |
| B001663 | CHEMBL1200629 | Small molecule | VECURONIUM BROMIDE | 637.74 | C34H57BrN2O4 | BASE | Details |
| B001664 | CHEMBL1200633 | Unknown | IVERMECTIN | 1736.18 | C95H146O28 | None | Details |
| B001668 | CHEMBL1200656 | Small molecule | NATAMYCIN | 665.73 | C33H47NO13 | ZWITTERION | Details |
| B001671 | CHEMBL1200679 | Small molecule | ZINC CHLORIDE | 136.3 | Cl2Zn | None | Details |
| B001673 | CHEMBL1200693 | Small molecule | MANGANESE CHLORIDE | 125.84 | Cl2Mn | None | Details |
| B001674 | CHEMBL1200709 | Small molecule | CROTAMITON | 203.28 | C13H17NO | NEUTRAL | Details |
| B001680 | CHEMBL1200748 | Small molecule | CARBIDOPA | 244.25 | C10H16N2O5 | ACID | Details |
| B001697 | CHEMBL1200845 | Small molecule | HALCINONIDE | 454.97 | C24H32ClFO5 | NEUTRAL | Details |
| B001700 | CHEMBL1200862 | Small molecule | METYROSINE | 195.22 | C10H13NO3 | ZWITTERION | Details |
| B001710 | CHEMBL1200993 | Small molecule | GALLAMINE TRIETHIODIDE | 891.54 | C30H60I3N3O3 | NEUTRAL | Details |
| B001714 | CHEMBL1201010 | Small molecule | FLUDROCORTISONE ACETATE | 422.49 | C23H31FO6 | NEUTRAL | Details |
| B001715 | CHEMBL1201012 | Small molecule | FLURANDRENOLIDE | 436.52 | C24H33FO6 | NEUTRAL | Details |
| B001718 | CHEMBL1201024 | Small molecule | METHSCOPOLAMINE BROMIDE | 398.3 | C18H24BrNO4 | NEUTRAL | Details |
| B001719 | CHEMBL1201038 | Small molecule | ACRISORCIN | 388.51 | C25H28N2O2 | None | Details |
| B001727 | CHEMBL1201117 | Small molecule | METHOCARBAMOL | 241.24 | C11H15NO5 | NEUTRAL | Details |
| B001730 | CHEMBL1201139 | Small molecule | MEGESTROL ACETATE | 384.52 | C24H32O4 | NEUTRAL | Details |
| B001731 | CHEMBL1201146 | Small molecule | NORETHINDRONE ACETATE | 340.46 | C22H28O3 | NEUTRAL | Details |
| B001733 | CHEMBL1201151 | Small molecule | MESTRANOL | 310.44 | C21H26O2 | NEUTRAL | Details |
| B001739 | CHEMBL1201193 | Small molecule | LEVOBUPIVACAINE | 288.44 | C18H28N2O | NEUTRAL | Details |
| B001740 | CHEMBL1201195 | Small molecule | CEFMETAZOLE | 471.55 | C15H17N7O5S3 | ACID | Details |
| B001741 | CHEMBL1201203 | Small molecule | BENZTROPINE | 307.44 | C21H25NO | BASE | Details |
| B001742 | CHEMBL1201207 | Small molecule | BETAMETHASONE PHOSPHORIC ACID | 472.45 | C22H30FO8P | ACID | Details |
| B001743 | CHEMBL1201216 | Small molecule | DAPIPRAZOLE | 325.46 | C19H27N5 | NEUTRAL | Details |
| B001745 | CHEMBL1201220 | Small molecule | DIATRIZOIC ACID | 613.92 | C11H9I3N2O4 | ACID | Details |
| B001746 | CHEMBL1201237 | Small molecule | LEVOBUNOLOL | 291.39 | C17H25NO3 | BASE | Details |
| B001749 | CHEMBL1201346 | Small molecule | BALSALAZIDE | 357.32 | C17H15N3O6 | ACID | Details |
| B001750 | CHEMBL1201353 | Small molecule | DEXCHLORPHENIRAMINE | 274.8 | C16H19ClN2 | BASE | Details |
| B001751 | CHEMBL1201356 | Small molecule | METHYLERGONOVINE | 339.44 | C20H25N3O2 | NEUTRAL | Details |
| B001752 | CHEMBL1201469 | Small molecule | GRAMICIDIN | -- | -- | -- | Details |
| B001754 | CHEMBL1201631 | Protein | INSULIN | -- | -- | -- | Details |