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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147604 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B140301 | CHEMBL4636520 | -- | -- | 588.64 | C30H28N4O7S | ACID | Details |
| B140302 | CHEMBL4636558 | -- | -- | 389.48 | C22H19N3O2S | BASE | Details |
| B140303 | CHEMBL4636567 | -- | -- | 558.66 | C31H30N2O6S | ACID | Details |
| B140304 | CHEMBL4636605 | -- | -- | 389.44 | C21H15N3O3S | NEUTRAL | Details |
| B140305 | CHEMBL4636623 | -- | -- | 653.01 | C34H32Cl3N3O4 | ACID | Details |
| B140306 | CHEMBL4636689 | -- | -- | 299.36 | C15H13N3O2S | NEUTRAL | Details |
| B140307 | CHEMBL4636810 | -- | -- | 573.67 | C31H31N3O6S | ACID | Details |
| B140308 | CHEMBL4636830 | -- | -- | 330.47 | C21H30O3 | ACID | Details |
| B140309 | CHEMBL4636869 | -- | -- | 564.47 | C30H27Cl2N3O4 | ACID | Details |
| B140310 | CHEMBL4636990 | -- | -- | 543.65 | C30H29N3O5S | ACID | Details |
| B140311 | CHEMBL4637025 | -- | -- | 700.83 | C14H8BrI3O4 | ACID | Details |
| B140312 | CHEMBL4637027 | -- | -- | 456.54 | C28H28N2O4 | ACID | Details |
| B140313 | CHEMBL4637028 | -- | -- | 479.58 | C27H33N3O5 | ACID | Details |
| B140314 | CHEMBL4637054 | -- | -- | 427.67 | C28H45NO2 | NEUTRAL | Details |
| B140315 | CHEMBL4637063 | -- | -- | 343.38 | C19H21NO5 | ACID | Details |
| B140316 | CHEMBL4637092 | -- | -- | 471.6 | C26H37N3O5 | ACID | Details |
| B140317 | CHEMBL4637143 | -- | -- | 500.43 | C24H27Cl2N7O | BASE | Details |
| B140318 | CHEMBL4637153 | -- | -- | 299.36 | C15H13N3O2S | NEUTRAL | Details |
| B140319 | CHEMBL4637538 | -- | -- | 507.97 | C28H26ClNO6 | ACID | Details |
| B140320 | CHEMBL4637666 | -- | -- | 401.53 | C22H27NO4S | ACID | Details |
| B140321 | CHEMBL4637696 | -- | -- | 576.48 | C31H27Cl2N3O4 | ACID | Details |
| B140322 | CHEMBL4637741 | -- | -- | 485.63 | C27H39N3O5 | ACID | Details |
| B140323 | CHEMBL4637781 | -- | -- | 348.91 | C21H29ClO2 | NEUTRAL | Details |
| B140324 | CHEMBL463781 | Small molecule | TRIFLUMIZOLE | 345.75 | C15H15ClF3N3O | NEUTRAL | Details |
| B140325 | CHEMBL4637821 | -- | -- | 377.49 | C22H27N5O | NEUTRAL | Details |
| B140326 | CHEMBL463783 | Small molecule | -- | 462.98 | C26H27ClN4O2 | NEUTRAL | Details |
| B140327 | CHEMBL4637834 | -- | -- | 620.58 | C34H35Cl2N3O4 | ACID | Details |
| B140328 | CHEMBL4637870 | -- | -- | 422.49 | C22H19FN4O2S | ACID | Details |
| B140329 | CHEMBL4637878 | -- | -- | 626.97 | C32H30Cl3N3O4 | ACID | Details |
| B140330 | CHEMBL4637936 | -- | -- | 465.55 | C26H31N3O5 | ACID | Details |
| B140331 | CHEMBL4638053 | -- | -- | 401.64 | C26H43NO2 | NEUTRAL | Details |
| B140332 | CHEMBL463808 | Small molecule | OPLOPANDIOL ACETATE | 334.46 | C20H30O4 | NEUTRAL | Details |
| B140333 | CHEMBL4638213 | -- | -- | 618.56 | C34H33Cl2N3O4 | ACID | Details |
| B140334 | CHEMBL4638244 | -- | -- | 647.56 | C34H32Cl2N4O5 | ACID | Details |
| B140335 | CHEMBL4638287 | -- | -- | 417.51 | C25H27N3O3 | ACID | Details |
| B140336 | CHEMBL4638290 | -- | -- | 443.5 | C27H25NO5 | ACID | Details |
| B140337 | CHEMBL4638469 | -- | -- | 292.42 | C18H28O3 | NEUTRAL | Details |
| B140338 | CHEMBL4638499 | -- | -- | 676.8 | C38H36N4O6S | ACID | Details |
| B140339 | CHEMBL4638567 | -- | -- | 592.52 | C32H31Cl2N3O4 | ACID | Details |
| B140340 | CHEMBL4638598 | -- | -- | 405.42 | C19H19N9O2 | NEUTRAL | Details |
| B140341 | CHEMBL4638645 | -- | -- | 497.42 | C22H22N6O3Se | None | Details |
| B140342 | CHEMBL463874 | Small molecule | -- | 587.75 | C28H44F3N5O3S | BASE | Details |
| B140343 | CHEMBL4638796 | -- | -- | 388.45 | C22H16N2O3S | NEUTRAL | Details |
| B140344 | CHEMBL4638850 | -- | -- | 373.58 | C24H39NO2 | NEUTRAL | Details |
| B140345 | CHEMBL4638869 | -- | -- | 3121.41 | C133H218N36O50 | None | Details |
| B140346 | CHEMBL4638870 | -- | -- | 729.87 | C15H11BrI3NO4 | ZWITTERION | Details |
| B140347 | CHEMBL4638890 | -- | -- | 308.36 | C17H12N2O2S | NEUTRAL | Details |
| B140348 | CHEMBL4639024 | -- | -- | 562.67 | C28H52O7P2 | NEUTRAL | Details |
| B140349 | CHEMBL4639094 | -- | -- | 610.51 | C32H30Cl2FN3O4 | ACID | Details |
| B140350 | CHEMBL4639127 | -- | -- | 523.63 | C32H33N3O4 | NEUTRAL | Details |
| B140351 | CHEMBL4639145 | -- | -- | 322.41 | C19H22N4O | BASE | Details |
| B140352 | CHEMBL4639167 | -- | -- | 413.9 | C23H24ClNO4 | ACID | Details |
| B140353 | CHEMBL4639169 | -- | -- | 390.46 | C22H18N2O3S | NEUTRAL | Details |
| B140354 | CHEMBL4639259 | -- | -- | 480.91 | C24H24ClF3N2O3 | ACID | Details |
| B140355 | CHEMBL4639302 | -- | -- | 407.51 | C25H29NO4 | ACID | Details |
| B140356 | CHEMBL4639604 | -- | -- | 426.43 | C22H22N2O7 | NEUTRAL | Details |
| B140357 | CHEMBL4639724 | -- | -- | 550.44 | C29H25Cl2N3O4 | ACID | Details |
| B140358 | CHEMBL4639931 | -- | -- | 448.35 | C23H23Cl2NO4 | ACID | Details |
| B140359 | CHEMBL4639961 | -- | -- | 481.89 | C20H15ClF3N5O2S | NEUTRAL | Details |
| B140360 | CHEMBL464006 | Small molecule | MORUSIN | 420.46 | C25H24O6 | NEUTRAL | Details |
| B140361 | CHEMBL4640063 | -- | -- | 355.4 | C17H21N7O2 | NEUTRAL | Details |
| B140362 | CHEMBL4640180 | -- | -- | 387.61 | C25H41NO2 | NEUTRAL | Details |
| B140363 | CHEMBL46403 | Small molecule | STEARIC ACID | 284.48 | C18H36O2 | ACID | Details |
| B140364 | CHEMBL4640340 | -- | -- | 590.51 | C32H29Cl2N3O4 | ACID | Details |
| B140365 | CHEMBL4640390 | -- | -- | 532.69 | C31H40N4O4 | NEUTRAL | Details |
| B140366 | CHEMBL4640424 | -- | -- | 389.44 | C21H15N3O3S | NEUTRAL | Details |
| B140367 | CHEMBL4640515 | -- | -- | 444.53 | C27H28N2O4 | ACID | Details |
| B140368 | CHEMBL464054 | Small molecule | -- | 552.8 | C33H52N4O3 | BASE | Details |
| B140369 | CHEMBL464055 | Small molecule | -- | 547.77 | C28H45N5O4S | BASE | Details |
| B140370 | CHEMBL4640653 | -- | -- | 550.66 | C30H38N4O6 | NEUTRAL | Details |
| B140371 | CHEMBL4640753 | -- | -- | 389.48 | C22H19N3O2S | BASE | Details |
| B140372 | CHEMBL4640815 | -- | -- | 556.75 | C31H48N4O5 | NEUTRAL | Details |
| B140373 | CHEMBL4640860 | -- | -- | 311.35 | C15H17N7O | NEUTRAL | Details |
| B140374 | CHEMBL4640865 | -- | -- | 416.5 | C24H20N2O3S | NEUTRAL | Details |
| B140375 | CHEMBL4641007 | -- | -- | 389.48 | C22H19N3O2S | BASE | Details |
| B140376 | CHEMBL4641017 | -- | -- | 604.53 | C33H31Cl2N3O4 | ACID | Details |
| B140377 | CHEMBL4641073 | -- | -- | 417.49 | C23H19N3O3S | NEUTRAL | Details |
| B140378 | CHEMBL4641264 | -- | -- | 385.43 | C18H23N7O3 | NEUTRAL | Details |
| B140379 | CHEMBL464132 | Small molecule | -- | 556.8 | C34H48N6O | BASE | Details |
| B140380 | CHEMBL464135 | Small molecule | DYRENE | 275.53 | C9H5Cl3N4 | NEUTRAL | Details |
| B140381 | CHEMBL4641469 | -- | -- | 497.64 | C28H39N3O5 | ACID | Details |
| B140382 | CHEMBL4641474 | -- | -- | 534.66 | C30H38N4O5 | NEUTRAL | Details |
| B140383 | CHEMBL4641596 | -- | -- | 325.35 | C15H11N5O2S | NEUTRAL | Details |
| B140384 | CHEMBL4641604 | -- | -- | 336.44 | C20H24N4O | BASE | Details |
| B140385 | CHEMBL4641606 | -- | -- | 440.53 | C25H20N4O2S | ACID | Details |
| B140386 | CHEMBL4641633 | -- | -- | 420.41 | C21H20F4N4O | BASE | Details |
| B140387 | CHEMBL4641643 | -- | -- | 508.62 | C32H32N2O4 | NEUTRAL | Details |
| B140388 | CHEMBL4641666 | -- | -- | 340.39 | C17H20N6O2 | NEUTRAL | Details |
| B140389 | CHEMBL4641671 | -- | -- | 662.77 | C37H34N4O6S | ACID | Details |
| B140390 | CHEMBL4641731 | -- | -- | 412.47 | C24H16N2O3S | NEUTRAL | Details |
| B140391 | CHEMBL464176 | Small molecule | -- | 308.51 | C20H36O2 | NEUTRAL | Details |
| B140392 | CHEMBL4641850 | -- | -- | 562.45 | C30H25Cl2N3O4 | ACID | Details |
| B140393 | CHEMBL4641864 | -- | -- | 299.31 | C14H9N3O3S | NEUTRAL | Details |
| B140394 | CHEMBL4642020 | -- | -- | 418.52 | C23H22N4O2S | ACID | Details |
| B140395 | CHEMBL4642074 | -- | -- | 481.57 | C25H27N3O5S | ACID | Details |
| B140396 | CHEMBL4642126 | -- | -- | 399.62 | C26H41NO2 | NEUTRAL | Details |
| B140397 | CHEMBL4642141 | -- | -- | 570.86 | C28H22Cl3N3O4 | ACID | Details |
| B140398 | CHEMBL46422 | Small molecule | -- | 215.89 | C6H2Cl4 | None | Details |
| B140399 | CHEMBL4642240 | -- | -- | 479.58 | C30H29N3O3 | NEUTRAL | Details |
| B140400 | CHEMBL4642251 | -- | -- | 444.5 | C23H24N8O2 | NEUTRAL | Details |