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 | |
|---|---|---|---|---|---|---|---|
| B002301 | CHEMBL1253843 | Small molecule | -- | 505.48 | C19H31N5O11 | NEUTRAL | Details |
| B002302 | CHEMBL1253923 | Small molecule | -- | 574.57 | C20H30N8O10S | NEUTRAL | Details |
| B002303 | CHEMBL1254013 | Small molecule | -- | 550.56 | C26H34N2O11 | NEUTRAL | Details |
| B002304 | CHEMBL125404 | Small molecule | -- | 380.31 | C16H16N2O9 | ACID | Details |
| B002305 | CHEMBL1254279 | Small molecule | -- | 491.44 | C25H21F4NO5 | ACID | Details |
| B002306 | CHEMBL1254357 | Small molecule | -- | 491.44 | C25H21F4NO5 | ACID | Details |
| B002307 | CHEMBL1254358 | Small molecule | -- | 503.45 | C26H21F4NO5 | ACID | Details |
| B002308 | CHEMBL1254508 | Small molecule | -- | 375.43 | C17H18FN5O2S | NEUTRAL | Details |
| B002309 | CHEMBL1254509 | Small molecule | -- | 391.88 | C17H18ClN5O2S | NEUTRAL | Details |
| B002310 | CHEMBL1254520 | Small molecule | -- | 319.34 | C11H17N3O6S | NEUTRAL | Details |
| B002311 | CHEMBL1254521 | Small molecule | -- | 359.45 | C15H25N3O5S | NEUTRAL | Details |
| B002312 | CHEMBL125454 | Small molecule | -- | 514.63 | C30H34N4O4 | NEUTRAL | Details |
| B002313 | CHEMBL1254577 | Small molecule | -- | 446.53 | C26H27FN4O2 | NEUTRAL | Details |
| B002314 | CHEMBL1254588 | Small molecule | -- | 436.33 | C17H18BrN5O2S | NEUTRAL | Details |
| B002315 | CHEMBL1254589 | Small molecule | -- | 483.33 | C17H18IN5O2S | NEUTRAL | Details |
| B002316 | CHEMBL1254599 | Small molecule | -- | 337.4 | C15H19N3O4S | NEUTRAL | Details |
| B002317 | CHEMBL1254600 | Small molecule | -- | 367.43 | C16H21N3O5S | NEUTRAL | Details |
| B002318 | CHEMBL1254601 | Small molecule | -- | 367.43 | C16H21N3O5S | NEUTRAL | Details |
| B002319 | CHEMBL1254667 | Small molecule | -- | 409.87 | C17H17ClFN5O2S | NEUTRAL | Details |
| B002320 | CHEMBL1254668 | Small molecule | -- | 426.33 | C17H17Cl2N5O2S | NEUTRAL | Details |
| B002321 | CHEMBL1254672 | Small molecule | -- | 525.45 | C26H21F6NO4 | ACID | Details |
| B002322 | CHEMBL1254673 | Small molecule | -- | 490.45 | C25H22F4N2O4 | ACID | Details |
| B002323 | CHEMBL1254676 | Small molecule | -- | 355.39 | C15H18FN3O4S | NEUTRAL | Details |
| B002324 | CHEMBL1254677 | Small molecule | -- | 387.46 | C19H21N3O4S | NEUTRAL | Details |
| B002325 | CHEMBL125474 | Small molecule | -- | 706.55 | C32H34Cl2FN5O8 | ZWITTERION | Details |
| B002326 | CHEMBL1254750 | Small molecule | -- | 470.78 | C17H17BrClN5O2S | NEUTRAL | Details |
| B002327 | CHEMBL1254751 | Small molecule | -- | 517.78 | C17H17ClIN5O2S | NEUTRAL | Details |
| B002328 | CHEMBL1254756 | Small molecule | -- | 518.51 | C27H26F4N2O4 | ACID | Details |
| B002329 | CHEMBL1254760 | Small molecule | -- | 338.39 | C14H18N4O4S | NEUTRAL | Details |
| B002330 | CHEMBL1254761 | Small molecule | -- | 415.49 | C16H21N3O6S2 | NEUTRAL | Details |
| B002331 | CHEMBL1254845 | Small molecule | -- | 415.49 | C16H21N3O6S2 | NEUTRAL | Details |
| B002332 | CHEMBL1254846 | Small molecule | -- | 375.41 | C13H21N5O6S | NEUTRAL | Details |
| B002333 | CHEMBL1254847 | Small molecule | -- | 318.36 | C11H18N4O5S | NEUTRAL | Details |
| B002334 | CHEMBL1254903 | Small molecule | -- | 376.58 | C24H40O3 | ACID | Details |
| B002335 | CHEMBL1254932 | Small molecule | -- | 360.44 | C14H24N4O5S | NEUTRAL | Details |
| B002336 | CHEMBL1254933 | Small molecule | -- | 362.41 | C13H22N4O6S | NEUTRAL | Details |
| B002337 | CHEMBL1254990 | Small molecule | NORUCHOLIC ACID | 378.55 | C23H38O4 | ACID | Details |
| B002338 | CHEMBL1255018 | Small molecule | -- | 417.49 | C16H27N5O6S | NEUTRAL | Details |
| B002339 | CHEMBL125522 | Small molecule | -- | 490.35 | C22H24BrN3O5 | NEUTRAL | Details |
| B002340 | CHEMBL125533 | Small molecule | -- | 577.75 | C31H39N5O4S | NEUTRAL | Details |
| B002341 | CHEMBL125539 | Small molecule | -- | 656.57 | C30H27F3N6O8 | ACID | Details |
| B002342 | CHEMBL125542 | Small molecule | -- | 524.63 | C29H32N8O2 | ACID | Details |
| B002343 | CHEMBL1255578 | Small molecule | -- | 101.11 | C4H7NO2 | NEUTRAL | Details |
| B002344 | CHEMBL1255589 | Small molecule | LORGLUMIDE SODIUM | 481.4 | C22H31Cl2N2NaO4 | ACID | Details |
| B002345 | CHEMBL1255647 | Small molecule | -- | 276.12 | C9H2N4Na2O4 | NEUTRAL | Details |
| B002346 | CHEMBL1255649 | Small molecule | ARECAIDINE PROPARGYL ESTER HYDROBROMIDE | 260.13 | C10H14BrNO2 | NEUTRAL | Details |
| B002347 | CHEMBL1255653 | Small molecule | SEPIAPTERIN | 237.22 | C9H11N5O3 | NEUTRAL | Details |
| B002348 | CHEMBL1255663 | Small molecule | RACEPINEPHRINE HYDROCHLORIDE | 219.67 | C9H14ClNO3 | BASE | Details |
| B002349 | CHEMBL1255738 | Small molecule | -- | 373.17 | C8H12IN3O4S | BASE | Details |
| B002350 | CHEMBL1255742 | Small molecule | -- | 363.35 | C12H19BrN4S2 | BASE | Details |
| B002351 | CHEMBL1255748 | Small molecule | -- | 357.62 | C11H17ClINO2 | BASE | Details |
| B002352 | CHEMBL1255794 | Small molecule | APLAVIROC | 577.72 | C33H43N3O6 | ACID | Details |
| B002353 | CHEMBL1255834 | Small molecule | BW-723C86 | 286.4 | C16H18N2OS | BASE | Details |
| B002354 | CHEMBL1255837 | Small molecule | DIHYDROERGOCRISTINE MESYLATE | 707.85 | C36H45N5O8S | NEUTRAL | Details |
| B002355 | CHEMBL1255839 | Small molecule | -- | 166.68 | C5H11ClN2S | BASE | Details |
| B002356 | CHEMBL1255867 | Small molecule | -- | 321.23 | C12H14Cl2N2O2S | BASE | Details |
| B002357 | CHEMBL1255900 | Small molecule | -- | 225.25 | C14H11NO2 | NEUTRAL | Details |
| B002358 | CHEMBL1255901 | Small molecule | HUPERZINE A | 242.32 | C15H18N2O | BASE | Details |
| B002359 | CHEMBL1255937 | Small molecule | ANCITABINE HYDROCHLORIDE | 261.67 | C9H12ClN3O4 | NEUTRAL | Details |
| B002360 | CHEMBL1255941 | Small molecule | PHACLOFEN | 249.63 | C9H13ClNO3P | ZWITTERION | Details |
| B002361 | CHEMBL1255976 | Small molecule | -- | 269.3 | C16H15NO3 | NEUTRAL | Details |
| B002362 | CHEMBL1256017 | Small molecule | ARCAINE SULFATE | 270.31 | C6H18N6O4S | BASE | Details |
| B002363 | CHEMBL1256019 | Small molecule | GABACULINE HYDROCHLORIDE | 175.61 | C7H10ClNO2 | ZWITTERION | Details |
| B002364 | CHEMBL1256028 | Small molecule | FIDUXOSIN HYDROCHLORIDE | 592.12 | C30H30ClN5O4S | BASE | Details |
| B002365 | CHEMBL1256095 | Small molecule | -- | 269.3 | C16H15NO3 | NEUTRAL | Details |
| B002366 | CHEMBL1256148 | Small molecule | -- | 357.62 | C11H17ClINO2 | BASE | Details |
| B002367 | CHEMBL1256192 | Small molecule | -- | 248.76 | C14H17ClN2 | BASE | Details |
| B002368 | CHEMBL1256291 | Small molecule | -- | 277.21 | C13H8FNO5 | ACID | Details |
| B002369 | CHEMBL125632 | Small molecule | -- | 337.35 | C17H20FNO5 | NEUTRAL | Details |
| B002370 | CHEMBL1256359 | Small molecule | ALAPROCLATE HYDROCHLORIDE | 292.21 | C13H19Cl2NO2 | NEUTRAL | Details |
| B002371 | CHEMBL1256360 | Small molecule | -- | 247.72 | C11H18ClNO3 | BASE | Details |
| B002372 | CHEMBL1256364 | Small molecule | -- | 235.34 | C10H9N3S2 | NEUTRAL | Details |
| B002373 | CHEMBL1256379 | Small molecule | -- | 246.22 | C13H10O5 | NEUTRAL | Details |
| B002374 | CHEMBL1256380 | Small molecule | -- | 262.22 | C13H10O6 | NEUTRAL | Details |
| B002375 | CHEMBL1256472 | Small molecule | CYTARABINE HYDROCHLORIDE | 279.68 | C9H14ClN3O5 | NEUTRAL | Details |
| B002376 | CHEMBL1256478 | Small molecule | TULOBUTEROL HYDROCHLORIDE | 264.2 | C12H19Cl2NO | BASE | Details |
| B002377 | CHEMBL1256516 | Small molecule | -- | 213.19 | C9H11NO5 | ZWITTERION | Details |
| B002378 | CHEMBL1256576 | Small molecule | BETAINE ALDEHYDE CHLORIDE | 137.61 | C5H12ClNO | None | Details |
| B002379 | CHEMBL125659 | Small molecule | -- | 460.56 | C26H24N2O4S | NEUTRAL | Details |
| B002380 | CHEMBL1256623 | Small molecule | -- | 168.15 | C7H8N2O3 | NEUTRAL | Details |
| B002381 | CHEMBL1256630 | Small molecule | PENDIMETHALIN | 281.31 | C13H19N3O4 | NEUTRAL | Details |
| B002382 | CHEMBL1256647 | Small molecule | -- | 386.03 | C20H33ClFNOSi | None | Details |
| B002383 | CHEMBL1256648 | Small molecule | -- | 371.23 | C15H19BrN2O4 | BASE | Details |
| B002384 | CHEMBL1256655 | Small molecule | AMSACRINE HYDROCHLORIDE | 429.93 | C21H20ClN3O3S | NEUTRAL | Details |
| B002385 | CHEMBL1256658 | Small molecule | CHLORPROTHIXENE HYDROCHLORIDE | 352.33 | C18H19Cl2NS | BASE | Details |
| B002386 | CHEMBL1256660 | Small molecule | -- | 460.98 | C23H25ClN2O4S | NEUTRAL | Details |
| B002387 | CHEMBL1256661 | Small molecule | PROPIONYLPROMAZINE HYDROCHLORIDE | 376.95 | C20H25ClN2OS | NEUTRAL | Details |
| B002388 | CHEMBL1256662 | Small molecule | IFENPRODIL TARTRATE | 475.54 | C25H33NO8 | BASE | Details |
| B002389 | CHEMBL1256666 | Small molecule | -- | 432.0 | C22H38ClNO5 | BASE | Details |
| B002390 | CHEMBL1256667 | Small molecule | -- | 330.41 | C17H18N2O3S | NEUTRAL | Details |
| B002391 | CHEMBL1256669 | Small molecule | BUTRALIN | 295.34 | C14H21N3O4 | NEUTRAL | Details |
| B002392 | CHEMBL1256672 | Small molecule | -- | 358.36 | C16H18N6O4 | NEUTRAL | Details |
| B002393 | CHEMBL1256679 | Small molecule | -- | 327.84 | C14H18ClN3O2S | NEUTRAL | Details |
| B002394 | CHEMBL1256686 | Small molecule | CALCIMYCIN | 523.63 | C29H37N3O6 | ACID | Details |
| B002395 | CHEMBL1256689 | Small molecule | -- | 450.42 | C21H21F3N4O4 | NEUTRAL | Details |
| B002396 | CHEMBL1256693 | Small molecule | -- | 349.4 | C19H22F3N3 | NEUTRAL | Details |
| B002397 | CHEMBL1256695 | Small molecule | NISOXETINE HYDROCHLORIDE | 307.82 | C17H22ClNO2 | BASE | Details |
| B002398 | CHEMBL1256697 | Small molecule | -- | 292.46 | C19H32O2 | NEUTRAL | Details |
| B002399 | CHEMBL1256703 | Small molecule | ETHALFLURALIN | 333.27 | C13H14F3N3O4 | NEUTRAL | Details |
| B002400 | CHEMBL1256708 | Small molecule | APOMORPHINE HYDROCHLORIDE HEMIHYDRATE | 321.8 | C17H20ClNO3 | NEUTRAL | Details |