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 | |
|---|---|---|---|---|---|---|---|
| B145301 | CHEMBL76897 | Small molecule | 4-DAMP | 451.35 | C21H26INO2 | NEUTRAL | Details |
| B145302 | CHEMBL76904 | Small molecule | TYRPHOSTIN 23 | 186.17 | C10H6N2O2 | NEUTRAL | Details |
| B145303 | CHEMBL76933 | Small molecule | -- | 328.32 | C18H16O6 | NEUTRAL | Details |
| B145304 | CHEMBL76972 | Protein | -- | 506.56 | C24H34N4O8 | ACID | Details |
| B145305 | CHEMBL77018 | Small molecule | -- | 453.44 | C25H21F2NO5 | ACID | Details |
| B145306 | CHEMBL77026 | Small molecule | -- | 451.91 | C25H22ClNO5 | ACID | Details |
| B145307 | CHEMBL77040 | Small molecule | -- | 396.44 | C22H24N2O5 | ACID | Details |
| B145308 | CHEMBL77064 | Small molecule | -- | 404.9 | C19H25ClN6O2 | NEUTRAL | Details |
| B145309 | CHEMBL77098 | Small molecule | 3-HYDROXY-3',4'-DIMETHOXYFLAVONE | 298.29 | C17H14O5 | NEUTRAL | Details |
| B145310 | CHEMBL77127 | Small molecule | -- | 451.91 | C25H22ClNO5 | ACID | Details |
| B145311 | CHEMBL772 | Small molecule | RESERPINE | 608.69 | C33H40N2O9 | NEUTRAL | Details |
| B145312 | CHEMBL7724 | Small molecule | AG1295 | 234.3 | C16H14N2 | NEUTRAL | Details |
| B145313 | CHEMBL77260 | Protein | -- | 506.56 | C24H34N4O8 | ACID | Details |
| B145314 | CHEMBL77271 | Small molecule | -- | 219.28 | C13H17NO2 | NEUTRAL | Details |
| B145315 | CHEMBL77285 | Small molecule | -- | 387.32 | C20H23BrN2O | BASE | Details |
| B145316 | CHEMBL773 | Small molecule | GLYCINE | 75.07 | C2H5NO2 | ZWITTERION | Details |
| B145317 | CHEMBL77327 | Small molecule | -- | 332.53 | C22H36O2 | NEUTRAL | Details |
| B145318 | CHEMBL77345 | Protein | -- | 421.45 | C20H27N3O7 | ACID | Details |
| B145319 | CHEMBL77363 | Small molecule | -- | 435.45 | C25H22FNO5 | ACID | Details |
| B145320 | CHEMBL77398 | Small molecule | -- | 465.93 | C26H24ClNO5 | ACID | Details |
| B145321 | CHEMBL77420 | Small molecule | -- | 451.91 | C25H22ClNO5 | ACID | Details |
| B145322 | CHEMBL77456 | Small molecule | TYRPHOSTIN 1 | 184.2 | C11H8N2O | NEUTRAL | Details |
| B145323 | CHEMBL77475 | Protein | -- | 506.56 | C24H34N4O8 | ACID | Details |
| B145324 | CHEMBL77502 | Small molecule | LY-510929 | 463.56 | C26H25NO5S | ACID | Details |
| B145325 | CHEMBL77552 | Small molecule | CENTAUREIDIN | 360.32 | C18H16O8 | NEUTRAL | Details |
| B145326 | CHEMBL77622 | Small molecule | DOPEXAMINE | 356.51 | C22H32N2O2 | BASE | Details |
| B145327 | CHEMBL7763 | Small molecule | -- | 581.58 | C21H39N7O12 | BASE | Details |
| B145328 | CHEMBL77675 | Small molecule | -- | 211.27 | C13H13N3 | BASE | Details |
| B145329 | CHEMBL77784 | Small molecule | -- | 393.53 | C24H31N3O2 | BASE | Details |
| B145330 | CHEMBL77838 | Protein | -- | 954.14 | C45H71N13O10 | ZWITTERION | Details |
| B145331 | CHEMBL77848 | Small molecule | -- | 332.53 | C22H36O2 | NEUTRAL | Details |
| B145332 | CHEMBL77928 | Small molecule | -- | 314.29 | C17H14O6 | NEUTRAL | Details |
| B145333 | CHEMBL78028 | Protein | -- | 393.4 | C18H23N3O7 | ACID | Details |
| B145334 | CHEMBL78150 | Small molecule | TYRPHOSTIN A9 | 282.39 | C18H22N2O | NEUTRAL | Details |
| B145335 | CHEMBL78154 | Small molecule | -- | 475.33 | C20H24Cl2N2O7 | ACID | Details |
| B145336 | CHEMBL78228 | Small molecule | -- | 500.38 | C26H23Cl2NO5 | ACID | Details |
| B145337 | CHEMBL7823 | Small molecule | -- | 239.28 | C13H13N5 | NEUTRAL | Details |
| B145338 | CHEMBL78257 | Small molecule | TYRPHOSTIN 51 | 268.23 | C13H8N4O3 | NEUTRAL | Details |
| B145339 | CHEMBL783 | Small molecule | NATEGLINIDE | 317.43 | C19H27NO3 | ACID | Details |
| B145340 | CHEMBL78334 | Small molecule | -- | 338.53 | C21H38O3 | NEUTRAL | Details |
| B145341 | CHEMBL78345 | Small molecule | -- | 345.4 | C18H23N3O4 | ZWITTERION | Details |
| B145342 | CHEMBL78442 | Small molecule | -- | 430.89 | C22H23ClN2O5 | ACID | Details |
| B145343 | CHEMBL78476 | Small molecule | -- | 388.46 | C21H28N2O5 | ACID | Details |
| B145344 | CHEMBL78523 | Small molecule | -- | 400.41 | C21H21FN2O5 | ACID | Details |
| B145345 | CHEMBL78529 | Small molecule | -- | 471.55 | C29H29NO5 | ACID | Details |
| B145346 | CHEMBL78535 | Small molecule | ANCRIVIROC | 557.53 | C28H37BrN4O3 | BASE | Details |
| B145347 | CHEMBL786 | Small molecule | TAMOXIFEN CITRATE | 563.65 | C32H37NO8 | BASE | Details |
| B145348 | CHEMBL787 | Small molecule | MONTELUKAST | 586.2 | C35H36ClNO3S | ACID | Details |
| B145349 | CHEMBL78765 | Small molecule | -- | 287.16 | C14H11BrN2 | NEUTRAL | Details |
| B145350 | CHEMBL788 | Small molecule | IDOXURIDINE | 354.1 | C9H11IN2O5 | NEUTRAL | Details |
| B145351 | CHEMBL789 | Small molecule | RATHYRONINE | 650.98 | C15H12I3NO4 | ZWITTERION | Details |
| B145352 | CHEMBL79 | Small molecule | LIDOCAINE | 234.34 | C14H22N2O | NEUTRAL | Details |
| B145353 | CHEMBL790 | Small molecule | CHLORHEXIDINE | 505.46 | C22H30Cl2N10 | BASE | Details |
| B145354 | CHEMBL79061 | Small molecule | -- | 579.71 | C33H40F3N5O | BASE | Details |
| B145355 | CHEMBL79158 | Small molecule | -- | 278.27 | C12H14N4O4 | NEUTRAL | Details |
| B145356 | CHEMBL7917 | Small molecule | TYRPHOSTIN AG-1478 | 315.76 | C16H14ClN3O2 | NEUTRAL | Details |
| B145357 | CHEMBL79242 | Small molecule | -- | 474.56 | C27H30N4O4 | ZWITTERION | Details |
| B145358 | CHEMBL79315 | Small molecule | -- | 549.74 | C31H39N3O4S | NEUTRAL | Details |
| B145359 | CHEMBL79359 | Small molecule | -- | 392.52 | C20H28N2O4S | NEUTRAL | Details |
| B145360 | CHEMBL79369 | Small molecule | -- | 512.12 | C28H34ClN3O2S | NEUTRAL | Details |
| B145361 | CHEMBL7939 | Small molecule | CGP-53353 | 365.34 | C20H13F2N3O2 | NEUTRAL | Details |
| B145362 | CHEMBL79426 | Small molecule | -- | 463.56 | C26H25NO5S | ACID | Details |
| B145363 | CHEMBL79504 | Small molecule | -- | 591.63 | C29H32Cl2N2O3S2 | NEUTRAL | Details |
| B145364 | CHEMBL79513 | Small molecule | -- | 365.34 | C20H15NO6 | NEUTRAL | Details |
| B145365 | CHEMBL79530 | Small molecule | -- | 576.81 | C33H44N4O3S | BASE | Details |
| B145366 | CHEMBL79557 | Small molecule | -- | 348.42 | C17H20N2O4S | NEUTRAL | Details |
| B145367 | CHEMBL79566 | Small molecule | -- | 539.14 | C30H35ClN2O3S | BASE | Details |
| B145368 | CHEMBL79622 | Small molecule | -- | 620.82 | C34H44N4O5S | NEUTRAL | Details |
| B145369 | CHEMBL79667 | Small molecule | -- | 543.77 | C30H45N3O4S | NEUTRAL | Details |
| B145370 | CHEMBL79697 | Small molecule | -- | 498.09 | C27H32ClN3O2S | NEUTRAL | Details |
| B145371 | CHEMBL79716 | Small molecule | -- | 541.18 | C29H33ClN2O2S2 | BASE | Details |
| B145372 | CHEMBL7973 | Small molecule | -- | 238.29 | C16H14O2 | NEUTRAL | Details |
| B145373 | CHEMBL79770 | Small molecule | -- | 590.83 | C34H46N4O3S | BASE | Details |
| B145374 | CHEMBL7983 | Small molecule | PROPYL GALLATE | 212.2 | C10H12O5 | NEUTRAL | Details |
| B145375 | CHEMBL79862 | Small molecule | -- | 706.55 | C32H34Cl2FN5O8 | ZWITTERION | Details |
| B145376 | CHEMBL79882 | Small molecule | -- | 524.51 | C29H27Cl2NO2S | None | Details |
| B145377 | CHEMBL799 | Small molecule | CILOSTAZOL | 369.47 | C20H27N5O2 | NEUTRAL | Details |
| B145378 | CHEMBL79907 | Small molecule | -- | 501.69 | C27H39N3O4S | NEUTRAL | Details |
| B145379 | CHEMBL79930 | Small molecule | -- | 529.75 | C29H43N3O4S | NEUTRAL | Details |
| B145380 | CHEMBL79958 | Small molecule | -- | 511.13 | C29H35ClN2O2S | BASE | Details |
| B145381 | CHEMBL8 | Small molecule | CIPROFLOXACIN | 331.35 | C17H18FN3O3 | ZWITTERION | Details |
| B145382 | CHEMBL80 | Small molecule | NALOXONE | 327.38 | C19H21NO4 | NEUTRAL | Details |
| B145383 | CHEMBL80043 | Small molecule | -- | 555.79 | C31H45N3O4S | NEUTRAL | Details |
| B145384 | CHEMBL80092 | Small molecule | -- | 341.39 | C18H15NO4S | NEUTRAL | Details |
| B145385 | CHEMBL80175 | Small molecule | -- | 216.24 | C13H12O3 | NEUTRAL | Details |
| B145386 | CHEMBL802 | Small molecule | MINOXIDIL | 209.25 | C9H15N5O | NEUTRAL | Details |
| B145387 | CHEMBL80251 | Small molecule | -- | 585.64 | C29H37F6N5O | BASE | Details |
| B145388 | CHEMBL803 | Small molecule | CYTARABINE | 243.22 | C9H13N3O5 | NEUTRAL | Details |
| B145389 | CHEMBL80301 | Small molecule | -- | 396.44 | C22H24N2O5 | ACID | Details |
| B145390 | CHEMBL80364 | Small molecule | -- | 424.5 | C24H28N2O5 | ACID | Details |
| B145391 | CHEMBL80460 | Small molecule | PLATANIC ACID | 458.68 | C29H46O4 | ACID | Details |
| B145392 | CHEMBL80586 | Small molecule | -- | 402.93 | C20H27ClN6O | NEUTRAL | Details |
| B145393 | CHEMBL806 | Small molecule | FLUTAMIDE | 276.21 | C11H11F3N2O3 | NEUTRAL | Details |
| B145394 | CHEMBL80605 | Small molecule | -- | 455.6 | C29H33N3O2 | BASE | Details |
| B145395 | CHEMBL80671 | Small molecule | -- | 416.86 | C21H21ClN2O5 | ACID | Details |
| B145396 | CHEMBL80694 | Protein | -- | 506.56 | C24H34N4O8 | ACID | Details |
| B145397 | CHEMBL80695 | Small molecule | -- | 476.53 | C23H32N4O7 | NEUTRAL | Details |
| B145398 | CHEMBL80713 | Small molecule | -- | 400.48 | C20H28N6O3 | NEUTRAL | Details |
| B145399 | CHEMBL80739 | Small molecule | -- | 549.59 | C24H35N7O8 | ACID | Details |
| B145400 | CHEMBL80772 | Small molecule | -- | 400.41 | C21H21FN2O5 | ACID | Details |