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 | |
|---|---|---|---|---|---|---|---|
| B138301 | CHEMBL4446031 | -- | -- | 483.49 | C22H24Cl2N2O2S2 | ACID | Details |
| B138302 | CHEMBL4446291 | -- | -- | 283.32 | C14H21NO5 | NEUTRAL | Details |
| B138303 | CHEMBL444633 | Small molecule | RIFABUTIN | 847.02 | C46H62N4O11 | NEUTRAL | Details |
| B138304 | CHEMBL4446405 | -- | -- | 292.81 | C15H21ClN4 | NEUTRAL | Details |
| B138305 | CHEMBL4446432 | -- | -- | 329.79 | C17H16ClN3O2 | ACID | Details |
| B138306 | CHEMBL4446434 | -- | -- | 358.2 | C16H12BrN3O2 | NEUTRAL | Details |
| B138307 | CHEMBL4446450 | -- | -- | 400.82 | C19H17ClN4O4 | ACID | Details |
| B138308 | CHEMBL4446479 | -- | -- | 393.48 | C24H27NO4 | NEUTRAL | Details |
| B138309 | CHEMBL444662 | Small molecule | -- | 664.73 | C34H36N2O10S | NEUTRAL | Details |
| B138310 | CHEMBL4446622 | -- | -- | 674.68 | C32H34O14S | NEUTRAL | Details |
| B138311 | CHEMBL4446633 | -- | -- | 429.48 | C25H23N3O4 | NEUTRAL | Details |
| B138312 | CHEMBL4446643 | -- | -- | 467.99 | C22H27ClFN3O3S | BASE | Details |
| B138313 | CHEMBL4446663 | -- | -- | 437.93 | C24H24ClN3O3 | NEUTRAL | Details |
| B138314 | CHEMBL444667 | Small molecule | -- | 567.82 | C33H53N5O3 | BASE | Details |
| B138315 | CHEMBL4446679 | -- | -- | 484.69 | C26H32N2O3S2 | ACID | Details |
| B138316 | CHEMBL4446731 | -- | -- | 444.38 | C20H23Cl2NO4S | NEUTRAL | Details |
| B138317 | CHEMBL4446782 | -- | -- | 882.97 | C48H48F2N10O5 | NEUTRAL | Details |
| B138318 | CHEMBL4446831 | -- | -- | 333.75 | C16H13ClFN3O2 | ACID | Details |
| B138319 | CHEMBL4446892 | -- | -- | 520.34 | C17H17BrF3N7O2S | NEUTRAL | Details |
| B138320 | CHEMBL4446904 | -- | -- | 506.01 | C22H25ClFN7O2S | ZWITTERION | Details |
| B138321 | CHEMBL4446933 | -- | -- | 355.48 | C22H29NO3 | NEUTRAL | Details |
| B138322 | CHEMBL4446959 | -- | -- | 454.93 | C21H23ClO7S | NEUTRAL | Details |
| B138323 | CHEMBL4447033 | -- | -- | 354.8 | C18H15ClN4O2 | NEUTRAL | Details |
| B138324 | CHEMBL4447083 | -- | -- | 486.88 | C21H22ClF3N4O4 | BASE | Details |
| B138325 | CHEMBL4447138 | -- | -- | 521.73 | C30H39N3O3S | ACID | Details |
| B138326 | CHEMBL4447184 | -- | -- | 411.89 | C22H22ClN3O3 | NEUTRAL | Details |
| B138327 | CHEMBL4447216 | -- | -- | 522.72 | C30H50O7 | NEUTRAL | Details |
| B138328 | CHEMBL4447234 | -- | -- | 378.47 | C23H26N2O3 | NEUTRAL | Details |
| B138329 | CHEMBL4447263 | -- | -- | 295.35 | C16H17N5O | NEUTRAL | Details |
| B138330 | CHEMBL444736 | Small molecule | -- | 240.35 | C13H24N2O2 | NEUTRAL | Details |
| B138331 | CHEMBL4447452 | -- | -- | 330.43 | C16H14N2O2S2 | NEUTRAL | Details |
| B138332 | CHEMBL4447565 | -- | -- | 275.35 | C13H9NO2S2 | ACID | Details |
| B138333 | CHEMBL4447577 | -- | -- | 602.61 | C33H29F3N4O4 | ACID | Details |
| B138334 | CHEMBL4447632 | -- | -- | 427.89 | C22H22ClN3O4 | NEUTRAL | Details |
| B138335 | CHEMBL4447643 | -- | -- | 571.71 | C32H45NO8 | NEUTRAL | Details |
| B138336 | CHEMBL4447690 | -- | -- | 337.45 | C16H23N3O3S | NEUTRAL | Details |
| B138337 | CHEMBL4447729 | -- | -- | 349.39 | C19H19N5O2 | NEUTRAL | Details |
| B138338 | CHEMBL4447816 | -- | -- | 451.8 | C18H18ClF4N3O4 | BASE | Details |
| B138339 | CHEMBL4447830 | -- | -- | 441.92 | C23H24ClN3O4 | NEUTRAL | Details |
| B138340 | CHEMBL4447835 | -- | -- | 634.71 | C36H35FN6O4 | ACID | Details |
| B138341 | CHEMBL4447851 | -- | -- | 546.79 | C33H54O6 | NEUTRAL | Details |
| B138342 | CHEMBL4447935 | -- | -- | 297.35 | C15H23NO5 | NEUTRAL | Details |
| B138343 | CHEMBL4447977 | -- | -- | 404.47 | C23H24N4O3 | NEUTRAL | Details |
| B138344 | CHEMBL4447996 | -- | -- | 436.9 | C24H21ClN2O4 | NEUTRAL | Details |
| B138345 | CHEMBL4448138 | -- | -- | 386.44 | C22H26O6 | NEUTRAL | Details |
| B138346 | CHEMBL4448140 | -- | -- | 530.75 | C32H50O6 | NEUTRAL | Details |
| B138347 | CHEMBL4448213 | -- | -- | 498.42 | C25H28BrN3O3 | NEUTRAL | Details |
| B138348 | CHEMBL444825 | Small molecule | QUIZALOFOP ETHYL ESTER | 372.81 | C19H17ClN2O4 | NEUTRAL | Details |
| B138349 | CHEMBL4448302 | -- | -- | 487.53 | C29H26FNO5 | ACID | Details |
| B138350 | CHEMBL4448458 | -- | -- | 412.28 | C21H18BrNO3 | ACID | Details |
| B138351 | CHEMBL4448507 | -- | -- | 236.27 | C13H16O4 | ACID | Details |
| B138352 | CHEMBL4448576 | -- | -- | 444.3 | C21H19BrFN3O2 | NEUTRAL | Details |
| B138353 | CHEMBL4448581 | -- | -- | 530.75 | C32H50O6 | NEUTRAL | Details |
| B138354 | CHEMBL4448603 | -- | -- | 387.27 | C20H16Cl2N2O2 | NEUTRAL | Details |
| B138355 | CHEMBL4448642 | -- | -- | 488.71 | C30H48O5 | NEUTRAL | Details |
| B138356 | CHEMBL4448658 | -- | -- | 403.81 | C21H16ClF2NO3 | ACID | Details |
| B138357 | CHEMBL4448679 | -- | -- | 307.35 | C19H17NO3 | NEUTRAL | Details |
| B138358 | CHEMBL4448705 | -- | -- | 507.59 | C32H29NO5 | ACID | Details |
| B138359 | CHEMBL4448713 | -- | -- | 516.06 | C22H27ClFN3O4S2 | BASE | Details |
| B138360 | CHEMBL4448714 | -- | -- | 299.31 | C15H14FN5O | NEUTRAL | Details |
| B138361 | CHEMBL4448767 | -- | -- | 617.66 | C33H35N3O9 | ACID | Details |
| B138362 | CHEMBL4448855 | -- | -- | 484.72 | C31H48O4 | NEUTRAL | Details |
| B138363 | CHEMBL4448884 | -- | -- | 385.77 | C17H15ClF3N3O2 | BASE | Details |
| B138364 | CHEMBL4448899 | -- | BAY-876 | 496.42 | C24H16F4N6O2 | NEUTRAL | Details |
| B138365 | CHEMBL4448919 | -- | -- | 365.4 | C22H20FNO3 | ACID | Details |
| B138366 | CHEMBL4448988 | -- | -- | 606.66 | C34H31FN6O4 | ACID | Details |
| B138367 | CHEMBL4449035 | -- | -- | 536.51 | C28H23F3N4O4 | ACID | Details |
| B138368 | CHEMBL4449098 | -- | -- | 369.85 | C20H20ClN3O2 | ACID | Details |
| B138369 | CHEMBL4449126 | -- | -- | 285.68 | C12H12ClNO5 | ACID | Details |
| B138370 | CHEMBL444915 | Small molecule | -- | 595.57 | C32H36Cl2N4O3 | BASE | Details |
| B138371 | CHEMBL4449166 | -- | -- | 528.12 | C28H34ClN3O3S | ACID | Details |
| B138372 | CHEMBL4449183 | -- | -- | 607.73 | C37H38FN3O4 | ACID | Details |
| B138373 | CHEMBL4449222 | -- | -- | 331.8 | C18H18ClNO3 | NEUTRAL | Details |
| B138374 | CHEMBL4449281 | -- | -- | 324.77 | C14H17ClN4O3 | NEUTRAL | Details |
| B138375 | CHEMBL4449283 | -- | -- | 400.48 | C25H24N2O3 | ACID | Details |
| B138376 | CHEMBL4449294 | -- | -- | 299.32 | C14H21NO6 | NEUTRAL | Details |
| B138377 | CHEMBL4449396 | -- | -- | 373.86 | C19H16ClNO3S | NEUTRAL | Details |
| B138378 | CHEMBL4449414 | -- | -- | 414.47 | C24H22N4O3 | NEUTRAL | Details |
| B138379 | CHEMBL4449542 | -- | -- | 391.42 | C19H25N3O6 | NEUTRAL | Details |
| B138380 | CHEMBL4449579 | -- | -- | 341.79 | C19H16ClNO3 | NEUTRAL | Details |
| B138381 | CHEMBL4449675 | -- | -- | 512.78 | C33H52O4 | NEUTRAL | Details |
| B138382 | CHEMBL4449687 | -- | -- | 619.62 | C34H29F4N3O4 | ACID | Details |
| B138383 | CHEMBL444970 | Small molecule | CHLORPHRIFOS OXON | 334.52 | C9H11Cl3NO4P | NEUTRAL | Details |
| B138384 | CHEMBL4449760 | -- | -- | 404.47 | C24H24N2O4 | ACID | Details |
| B138385 | CHEMBL4449818 | -- | -- | 391.43 | C22H21N3O4 | NEUTRAL | Details |
| B138386 | CHEMBL4449826 | -- | -- | 352.78 | C15H17ClN4O4 | ACID | Details |
| B138387 | CHEMBL4449840 | -- | -- | 509.56 | C30H27N3O5 | NEUTRAL | Details |
| B138388 | CHEMBL4449946 | -- | -- | 417.82 | C18H19ClF3N3O3 | BASE | Details |
| B138389 | CHEMBL445 | Small molecule | NORTRIPTYLINE | 263.38 | C19H21N | BASE | Details |
| B138390 | CHEMBL445003 | Small molecule | -- | 527.76 | C33H45N5O | BASE | Details |
| B138391 | CHEMBL4450081 | -- | -- | 401.47 | C24H23N3O3 | NEUTRAL | Details |
| B138392 | CHEMBL4450132 | -- | -- | 461.99 | C18H17ClFNO4S3 | NEUTRAL | Details |
| B138393 | CHEMBL4450146 | -- | -- | 637.61 | C34H28F5N3O4 | ACID | Details |
| B138394 | CHEMBL4450162 | -- | -- | 516.76 | C32H52O5 | NEUTRAL | Details |
| B138395 | CHEMBL4450182 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |
| B138396 | CHEMBL4450273 | -- | -- | 317.78 | C15H16ClN5O | NEUTRAL | Details |
| B138397 | CHEMBL4450337 | -- | -- | 399.87 | C18H19ClFNO4S | NEUTRAL | Details |
| B138398 | CHEMBL4450354 | -- | -- | 431.8 | C18H17ClF3N3O4 | ZWITTERION | Details |
| B138399 | CHEMBL4450373 | -- | -- | 714.56 | C32H38F3IN2O5 | ACID | Details |
| B138400 | CHEMBL4450437 | -- | -- | 290.54 | C10H9BrClNO2 | NEUTRAL | Details |