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.
stats1
stats2
147604 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B139301 | CHEMBL4533618 | -- | -- | 960.53 | C43H66ClN13O10 | ZWITTERION | Details |
| B139302 | CHEMBL4533649 | -- | -- | 306.15 | C9H15IN4 | NEUTRAL | Details |
| B139303 | CHEMBL4533671 | -- | -- | 573.61 | C30H34F3N3O5 | ZWITTERION | Details |
| B139304 | CHEMBL4533736 | -- | -- | 239.28 | C14H13N3O | BASE | Details |
| B139305 | CHEMBL453375 | Small molecule | -- | 332.4 | C19H24O5 | NEUTRAL | Details |
| B139306 | CHEMBL4533822 | -- | -- | 483.36 | C24H23BrN2O4 | ACID | Details |
| B139307 | CHEMBL453388 | Small molecule | AMPICILLIN TRIHYDRATE | 403.46 | C16H25N3O7S | ACID | Details |
| B139308 | CHEMBL4533883 | -- | -- | 197.24 | C12H11N3 | NEUTRAL | Details |
| B139309 | CHEMBL453389 | Small molecule | -- | 360.45 | C21H28O5 | NEUTRAL | Details |
| B139310 | CHEMBL4534005 | -- | GSM-NC | 496.49 | C25H23F3N6O2 | NEUTRAL | Details |
| B139311 | CHEMBL4534051 | -- | -- | 326.39 | C16H26N2O5 | NEUTRAL | Details |
| B139312 | CHEMBL4534113 | -- | -- | 3656.07 | C165H252N42O52 | None | Details |
| B139313 | CHEMBL4534342 | -- | -- | 299.32 | C14H21NO6 | NEUTRAL | Details |
| B139314 | CHEMBL4534403 | -- | -- | 461.8 | C14H16Cl3FN4O2S2 | NEUTRAL | Details |
| B139315 | CHEMBL4534481 | -- | -- | 357.84 | C19H20ClN3O2 | ACID | Details |
| B139316 | CHEMBL4534512 | -- | -- | 397.87 | C20H20ClN5O2 | NEUTRAL | Details |
| B139317 | CHEMBL453461 | Small molecule | -- | 250.3 | C13H18N2O3 | NEUTRAL | Details |
| B139318 | CHEMBL4534716 | -- | -- | 384.87 | C20H21ClN4O2 | NEUTRAL | Details |
| B139319 | CHEMBL45348 | Small molecule | -- | 302.37 | C18H22O4 | NEUTRAL | Details |
| B139320 | CHEMBL4534812 | -- | -- | 387.43 | C20H18FNO4S | ACID | Details |
| B139321 | CHEMBL4534849 | -- | -- | 425.88 | C21H20ClN5O3 | NEUTRAL | Details |
| B139322 | CHEMBL4534876 | -- | -- | 626.22 | C36H36ClN3O3S | ACID | Details |
| B139323 | CHEMBL4534969 | -- | -- | 335.36 | C19H17N3O3 | NEUTRAL | Details |
| B139324 | CHEMBL4535018 | -- | -- | 579.75 | C35H41N5O3 | NEUTRAL | Details |
| B139325 | CHEMBL453509 | Small molecule | PALMITOLEIC ACID | 254.41 | C16H30O2 | ACID | Details |
| B139326 | CHEMBL453525 | Small molecule | -- | 611.78 | C37H43F2N5O | BASE | Details |
| B139327 | CHEMBL4535256 | -- | -- | 521.73 | C30H39N3O3S | ACID | Details |
| B139328 | CHEMBL4535310 | -- | -- | 499.44 | C17H17Cl2FN2O4S3 | NEUTRAL | Details |
| B139329 | CHEMBL4535355 | -- | -- | 320.36 | C17H16N6O | NEUTRAL | Details |
| B139330 | CHEMBL4535394 | -- | -- | 404.89 | C22H25ClO5 | NEUTRAL | Details |
| B139331 | CHEMBL4535401 | -- | -- | 584.6 | C30H31F3N4O5 | ACID | Details |
| B139332 | CHEMBL4535460 | -- | -- | 373.45 | C20H18FNO3S | ACID | Details |
| B139333 | CHEMBL4535474 | -- | BAY-293 | 448.59 | C25H28N4O2S | BASE | Details |
| B139334 | CHEMBL453556 | Small molecule | ETROGOL ACETATE | 248.32 | C15H20O3 | NEUTRAL | Details |
| B139335 | CHEMBL4535581 | -- | -- | 357.45 | C21H27NO4 | NEUTRAL | Details |
| B139336 | CHEMBL4535678 | -- | -- | 942.09 | C43H67N13O11 | ZWITTERION | Details |
| B139337 | CHEMBL4535696 | -- | -- | 347.84 | C19H22ClNO3 | NEUTRAL | Details |
| B139338 | CHEMBL4535717 | -- | -- | 514.75 | C32H50O5 | NEUTRAL | Details |
| B139339 | CHEMBL4535726 | -- | -- | 331.44 | C12H13NO4S3 | NEUTRAL | Details |
| B139340 | CHEMBL4535730 | -- | -- | 372.51 | C23H32O4 | ACID | Details |
| B139341 | CHEMBL4535865 | -- | -- | 368.82 | C19H17ClN4O2 | NEUTRAL | Details |
| B139342 | CHEMBL4535883 | -- | -- | 174.2 | C10H10N2O | BASE | Details |
| B139343 | CHEMBL4535903 | -- | -- | 542.15 | C29H36ClN3O3S | ACID | Details |
| B139344 | CHEMBL4535914 | -- | -- | 420.29 | C21H19Cl2NO4 | NEUTRAL | Details |
| B139345 | CHEMBL4535997 | -- | -- | 944.06 | C42H65N13O12 | ZWITTERION | Details |
| B139346 | CHEMBL4536003 | -- | -- | 274.32 | C18H14N2O | BASE | Details |
| B139347 | CHEMBL4536040 | -- | -- | 296.33 | C16H16N4O2 | NEUTRAL | Details |
| B139348 | CHEMBL4536044 | -- | -- | 475.46 | C25H24F3NO5 | ACID | Details |
| B139349 | CHEMBL4536051 | -- | -- | 429.48 | C23H23N7O2 | NEUTRAL | Details |
| B139350 | CHEMBL4536197 | -- | A-486 | 536.48 | C25H24F4N4O5 | NEUTRAL | Details |
| B139351 | CHEMBL4536206 | -- | -- | 292.73 | C13H13ClN4O2 | NEUTRAL | Details |
| B139352 | CHEMBL4536276 | -- | -- | 382.5 | C20H34N2O5 | NEUTRAL | Details |
| B139353 | CHEMBL4536334 | -- | -- | 484.0 | C26H30ClN3O4 | NEUTRAL | Details |
| B139354 | CHEMBL4536766 | -- | -- | 397.86 | C21H20ClN3O3 | NEUTRAL | Details |
| B139355 | CHEMBL4536792 | -- | -- | 194.18 | C7H14O6 | NEUTRAL | Details |
| B139356 | CHEMBL4536821 | -- | -- | 351.86 | C16H18ClN3O2S | ACID | Details |
| B139357 | CHEMBL4536886 | -- | -- | 926.09 | C43H67N13O10 | ZWITTERION | Details |
| B139358 | CHEMBL4536937 | -- | -- | 440.67 | C29H44O3 | NEUTRAL | Details |
| B139359 | CHEMBL4537058 | -- | -- | 404.52 | C18H20N4O3S2 | NEUTRAL | Details |
| B139360 | CHEMBL4537065 | -- | -- | 600.62 | C34H32O10 | NEUTRAL | Details |
| B139361 | CHEMBL4537103 | -- | -- | 242.14 | C9H8BrNS | BASE | Details |
| B139362 | CHEMBL453720 | Small molecule | -- | 252.36 | C14H24N2O2 | NEUTRAL | Details |
| B139363 | CHEMBL4537335 | -- | -- | 544.65 | C31H36N4O5 | ACID | Details |
| B139364 | CHEMBL4537397 | -- | -- | 160.22 | C10H12N2 | BASE | Details |
| B139365 | CHEMBL4537516 | -- | -- | 240.27 | C13H12N4O | NEUTRAL | Details |
| B139366 | CHEMBL4537625 | -- | -- | 556.42 | C26H28Cl2N3NaO5 | ACID | Details |
| B139367 | CHEMBL4537673 | -- | BAY-985 | 553.59 | C27H30F3N9O | NEUTRAL | Details |
| B139368 | CHEMBL4537738 | -- | -- | 516.37 | C23H15F7N2O4 | NEUTRAL | Details |
| B139369 | CHEMBL4537751 | -- | -- | 290.54 | C10H9BrClNO2 | NEUTRAL | Details |
| B139370 | CHEMBL4537756 | -- | -- | 349.39 | C19H19N5O2 | NEUTRAL | Details |
| B139371 | CHEMBL4537761 | -- | -- | 431.84 | C19H21ClF3N3O3 | BASE | Details |
| B139372 | CHEMBL4537788 | -- | BAY-784 | 672.12 | C29H26ClF4N3O5S2 | NEUTRAL | Details |
| B139373 | CHEMBL4537814 | -- | -- | 254.33 | C12H22N4O2 | NEUTRAL | Details |
| B139374 | CHEMBL4537981 | -- | -- | 421.38 | C20H18F3N3O4 | BASE | Details |
| B139375 | CHEMBL4538013 | -- | -- | 375.47 | C24H25NO3 | NEUTRAL | Details |
| B139376 | CHEMBL453805 | Small molecule | PENTOSALEN | 270.28 | C16H14O4 | NEUTRAL | Details |
| B139377 | CHEMBL4538076 | -- | -- | 475.59 | C28H33N3O4 | NEUTRAL | Details |
| B139378 | CHEMBL4538174 | -- | ERKi | 311.35 | C16H17N5O2 | NEUTRAL | Details |
| B139379 | CHEMBL4538376 | -- | -- | 496.94 | C22H22ClFN2O6S | NEUTRAL | Details |
| B139380 | CHEMBL4538523 | -- | -- | 376.47 | C20H24O5S | NEUTRAL | Details |
| B139381 | CHEMBL4538591 | -- | BAY-440 | 574.01 | C26H27ClF3N9O | NEUTRAL | Details |
| B139382 | CHEMBL453863 | Small molecule | TEROXIRONE | 297.27 | C12H15N3O6 | NEUTRAL | Details |
| B139383 | CHEMBL4538761 | -- | -- | 374.24 | C17H16BrN3O2 | ACID | Details |
| B139384 | CHEMBL4538895 | -- | -- | 438.45 | C25H21F3N2O2 | ACID | Details |
| B139385 | CHEMBL4538912 | -- | -- | 305.28 | C13H17F2NO5 | NEUTRAL | Details |
| B139386 | CHEMBL4539027 | -- | -- | 410.88 | C19H19ClO6S | NEUTRAL | Details |
| B139387 | CHEMBL453905 | Small molecule | BROMOXYNIL | 276.92 | C7H3Br2NO | ACID | Details |
| B139388 | CHEMBL453912 | Small molecule | -- | 410.42 | C23H20F2N2O3 | NEUTRAL | Details |
| B139389 | CHEMBL453913 | Small molecule | -- | 406.46 | C24H23FN2O3 | NEUTRAL | Details |
| B139390 | CHEMBL4539187 | -- | -- | 354.29 | C15H13F3N4O3 | NEUTRAL | Details |
| B139391 | CHEMBL4539262 | -- | -- | 593.65 | C33H34F3N3O4 | ACID | Details |
| B139392 | CHEMBL4539282 | -- | -- | 439.01 | C23H19ClN2OS2 | NEUTRAL | Details |
| B139393 | CHEMBL4539353 | -- | -- | 265.7 | C13H12ClNO3 | NEUTRAL | Details |
| B139394 | CHEMBL4539397 | -- | -- | 391.47 | C23H25N3O3 | NEUTRAL | Details |
| B139395 | CHEMBL4539448 | -- | -- | 232.32 | C15H20O2 | NEUTRAL | Details |
| B139396 | CHEMBL4539482 | -- | -- | 307.27 | C15H12F3N3O | BASE | Details |
| B139397 | CHEMBL4539507 | -- | -- | 485.56 | C30H28FNO4 | ACID | Details |
| B139398 | CHEMBL4539531 | -- | -- | 337.42 | C20H23N3O2 | NEUTRAL | Details |
| B139399 | CHEMBL4539538 | -- | -- | 339.37 | C19H18FN3O2 | ACID | Details |
| B139400 | CHEMBL4539555 | -- | BI 9307 | 546.61 | C23H23FN6O5S2 | NEUTRAL | Details |