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 | |
|---|---|---|---|---|---|---|---|
| B141001 | CHEMBL4751890 | -- | -- | 572.46 | C29H28Cl2FN3O4 | ACID | Details |
| B141002 | CHEMBL475191 | Small molecule | -- | 290.3 | C13H10N2O4S | NEUTRAL | Details |
| B141003 | CHEMBL4751918 | -- | -- | 374.41 | C19H18N8O | NEUTRAL | Details |
| B141004 | CHEMBL4751951 | -- | -- | 414.3 | C20H17Cl2N5O | NEUTRAL | Details |
| B141005 | CHEMBL4752034 | -- | -- | 390.41 | C19H18N8O2 | NEUTRAL | Details |
| B141006 | CHEMBL4752053 | -- | -- | 364.4 | C18H24N2O6 | NEUTRAL | Details |
| B141007 | CHEMBL4752091 | -- | -- | 5242.96 | C239H363N53O75S2 | None | Details |
| B141008 | CHEMBL4752145 | -- | -- | 403.28 | C18H19BrN4O2 | NEUTRAL | Details |
| B141009 | CHEMBL4752195 | -- | -- | 6190.04 | C279H425N83O76S | None | Details |
| B141010 | CHEMBL4752243 | -- | -- | 532.04 | C30H30ClN3O4 | ACID | Details |
| B141011 | CHEMBL4752331 | -- | -- | 4113.64 | C187H291N45O59 | None | Details |
| B141012 | CHEMBL4752364 | -- | -- | 448.49 | C24H29FO7 | NEUTRAL | Details |
| B141013 | CHEMBL475251 | Small molecule | R-406 | 470.46 | C22H23FN6O5 | NEUTRAL | Details |
| B141014 | CHEMBL4752692 | -- | -- | 403.44 | C23H21N3O4 | ACID | Details |
| B141015 | CHEMBL4752776 | -- | -- | 358.47 | C16H10N2O2S3 | ACID | Details |
| B141016 | CHEMBL4752897 | -- | -- | 449.46 | C24H23N3O6 | ACID | Details |
| B141017 | CHEMBL4752962 | -- | -- | 369.46 | C22H27NO4 | ACID | Details |
| B141018 | CHEMBL4752999 | -- | -- | 332.41 | C15H12N2O3S2 | ACID | Details |
| B141019 | CHEMBL4753047 | -- | -- | 501.51 | C26H26F3N3O4 | NEUTRAL | Details |
| B141020 | CHEMBL4753061 | -- | -- | 448.37 | C20H26BrN5O2 | NEUTRAL | Details |
| B141021 | CHEMBL4753159 | -- | -- | 455.99 | C25H30ClN3O3 | NEUTRAL | Details |
| B141022 | CHEMBL4753192 | -- | -- | 352.4 | C17H20N8O | NEUTRAL | Details |
| B141023 | CHEMBL4753203 | -- | -- | 389.42 | C20H19N7O2 | NEUTRAL | Details |
| B141024 | CHEMBL4753247 | -- | -- | 419.44 | C23H21N3O5 | ACID | Details |
| B141025 | CHEMBL4753270 | -- | -- | 326.36 | C15H18N8O | NEUTRAL | Details |
| B141026 | CHEMBL4753303 | -- | -- | 432.52 | C26H28N2O4 | NEUTRAL | Details |
| B141027 | CHEMBL4753305 | -- | -- | 3533.99 | C158H238N38O50S2 | None | Details |
| B141028 | CHEMBL4753312 | -- | -- | 403.45 | C20H21N9O | NEUTRAL | Details |
| B141029 | CHEMBL4753329 | -- | -- | 570.04 | C30H30ClF2N3O4 | ACID | Details |
| B141030 | CHEMBL4753348 | -- | -- | 4926.66 | C220H347N57O67S2 | None | Details |
| B141031 | CHEMBL4753375 | -- | -- | 5929.91 | C270H429N65O80S2 | None | Details |
| B141032 | CHEMBL4753405 | -- | -- | 456.54 | C28H28N2O4 | ACID | Details |
| B141033 | CHEMBL4753459 | -- | -- | 309.36 | C16H23NO5 | ACID | Details |
| B141034 | CHEMBL4753488 | -- | -- | 464.49 | C24H29FO8 | NEUTRAL | Details |
| B141035 | CHEMBL4753500 | -- | -- | 332.41 | C15H12N2O3S2 | ACID | Details |
| B141036 | CHEMBL4753564 | -- | -- | 454.42 | C22H24F2O8 | NEUTRAL | Details |
| B141037 | CHEMBL4753607 | -- | -- | 587.57 | C30H29F4N3O5 | ACID | Details |
| B141038 | CHEMBL4753625 | -- | -- | 330.43 | C16H14N2O2S2 | ACID | Details |
| B141039 | CHEMBL4753690 | -- | -- | 340.39 | C16H20N8O | NEUTRAL | Details |
| B141040 | CHEMBL4753713 | -- | -- | 362.34 | C17H16F2N4O3 | NEUTRAL | Details |
| B141041 | CHEMBL4753726 | -- | -- | 402.46 | C21H22N8O | NEUTRAL | Details |
| B141042 | CHEMBL4753761 | -- | -- | 290.71 | C14H11ClN2O3 | NEUTRAL | Details |
| B141043 | CHEMBL4753801 | -- | -- | 402.46 | C21H22N8O | NEUTRAL | Details |
| B141044 | CHEMBL4753845 | -- | -- | 5914.9 | C270H428N64O80S2 | None | Details |
| B141045 | CHEMBL4753907 | -- | -- | 515.61 | C29H33N5O4 | ACID | Details |
| B141046 | CHEMBL4753926 | -- | -- | 387.49 | C18H17N3O3S2 | ACID | Details |
| B141047 | CHEMBL4753983 | -- | -- | 393.45 | C20H23N7O2 | NEUTRAL | Details |
| B141048 | CHEMBL4754053 | -- | -- | 396.37 | C18H19F3N4O3 | ACID | Details |
| B141049 | CHEMBL4754119 | -- | -- | 434.34 | C19H24BrN5O2 | NEUTRAL | Details |
| B141050 | CHEMBL4754232 | -- | -- | 324.35 | C15H16N8O | NEUTRAL | Details |
| B141051 | CHEMBL4754330 | -- | -- | 4261.94 | C197H299N43O58S2 | None | Details |
| B141052 | CHEMBL4754359 | -- | -- | 362.4 | C18H18N8O | NEUTRAL | Details |
| B141053 | CHEMBL4754458 | -- | -- | 565.99 | C24H22ClF2N5O5S | NEUTRAL | Details |
| B141054 | CHEMBL4754552 | -- | -- | 390.46 | C22H18N2O3S | ACID | Details |
| B141055 | CHEMBL4754574 | -- | -- | 348.47 | C15H12N2O2S3 | ACID | Details |
| B141056 | CHEMBL4754577 | -- | -- | 429.91 | C21H24ClN5O3 | NEUTRAL | Details |
| B141057 | CHEMBL4754713 | -- | -- | 512.42 | C22H23Cl2N3O5S | NEUTRAL | Details |
| B141058 | CHEMBL4754748 | -- | -- | 366.46 | C15H11FN2O2S3 | ACID | Details |
| B141059 | CHEMBL4754786 | -- | -- | 487.98 | C25H30ClN3O5 | NEUTRAL | Details |
| B141060 | CHEMBL4754997 | -- | -- | 455.94 | C24H26ClN3O4 | NEUTRAL | Details |
| B141061 | CHEMBL4755001 | -- | -- | 573.57 | C29H30F3N3O6 | NEUTRAL | Details |
| B141062 | CHEMBL4755052 | -- | -- | 521.0 | C27H26ClFN6O2 | ACID | Details |
| B141063 | CHEMBL4755086 | -- | -- | 371.27 | C14H8Cl2N2O2S2 | ACID | Details |
| B141064 | CHEMBL4755102 | -- | -- | 468.5 | C26H26F2N2O4 | NEUTRAL | Details |
| B141065 | CHEMBL4755187 | -- | -- | 452.45 | C23H26F2O7 | NEUTRAL | Details |
| B141066 | CHEMBL4755265 | -- | -- | 483.96 | C28H22ClN3O3 | ACID | Details |
| B141067 | CHEMBL4755323 | -- | -- | 474.48 | C25H25F3N2O4 | ACID | Details |
| B141068 | CHEMBL475534 | Small molecule | NITRENDIPINE | 360.37 | C18H20N2O6 | NEUTRAL | Details |
| B141069 | CHEMBL4755428 | -- | -- | 458.51 | C25H28F2N2O4 | ACID | Details |
| B141070 | CHEMBL4755590 | -- | -- | 395.34 | C18H16F3N3O4 | NEUTRAL | Details |
| B141071 | CHEMBL4755656 | -- | -- | 377.36 | C19H15N5O4 | NEUTRAL | Details |
| B141072 | CHEMBL4755810 | -- | -- | 282.73 | C13H15ClN2O3 | NEUTRAL | Details |
| B141073 | CHEMBL4755815 | -- | -- | 4255.71 | C185H285N55O59S | None | Details |
| B141074 | CHEMBL4755853 | -- | -- | 377.53 | C22H35NO4 | ACID | Details |
| B141075 | CHEMBL475606 | Small molecule | -- | 505.64 | C29H36FN5O2 | ZWITTERION | Details |
| B141076 | CHEMBL4756083 | -- | -- | 456.89 | C21H19ClF2O5S | NEUTRAL | Details |
| B141077 | CHEMBL4756140 | -- | -- | 4277.67 | C192H287N47O64 | None | Details |
| B141078 | CHEMBL4756217 | -- | -- | 345.79 | C17H16ClN3O3 | NEUTRAL | Details |
| B141079 | CHEMBL4756320 | -- | -- | 393.37 | C19H18F3N3O3 | NEUTRAL | Details |
| B141080 | CHEMBL4756371 | -- | -- | 427.93 | C23H26ClN3O3 | NEUTRAL | Details |
| B141081 | CHEMBL4756373 | -- | -- | 547.65 | C27H51NO6P2 | NEUTRAL | Details |
| B141082 | CHEMBL4756382 | -- | -- | 450.46 | C23H27FO8 | NEUTRAL | Details |
| B141083 | CHEMBL4756434 | -- | -- | 389.25 | C17H17BrN4O2 | NEUTRAL | Details |
| B141084 | CHEMBL4756489 | -- | -- | 4180.57 | C184H280N52O60 | None | Details |
| B141085 | CHEMBL4756793 | -- | -- | 3562.0 | C159H238N38O51S2 | None | Details |
| B141086 | CHEMBL4756797 | -- | -- | 413.48 | C20H20FN5O2S | NEUTRAL | Details |
| B141087 | CHEMBL4756874 | -- | -- | 311.77 | C18H14ClNO2 | NEUTRAL | Details |
| B141088 | CHEMBL4756902 | -- | -- | 332.41 | C15H12N2O3S2 | ACID | Details |
| B141089 | CHEMBL4756958 | -- | -- | 430.89 | C21H23ClN4O4 | NEUTRAL | Details |
| B141090 | CHEMBL4756960 | -- | -- | 389.5 | C25H27NO3 | NEUTRAL | Details |
| B141091 | CHEMBL4756964 | -- | -- | 272.35 | C16H20N2O2 | ACID | Details |
| B141092 | CHEMBL4756972 | -- | -- | 311.37 | C16H13N3O2S | NEUTRAL | Details |
| B141093 | CHEMBL4756996 | -- | -- | 559.42 | C28H25Cl2FN2O5 | ACID | Details |
| B141094 | CHEMBL4757032 | -- | -- | 396.29 | C17H22BrN3O3 | NEUTRAL | Details |
| B141095 | CHEMBL4757112 | -- | -- | 540.52 | C23H23F3N4O6S | NEUTRAL | Details |
| B141096 | CHEMBL4757338 | -- | -- | 486.55 | C23H26N4O6S | NEUTRAL | Details |
| B141097 | CHEMBL4757408 | -- | -- | 424.34 | C19H26BrN3O3 | NEUTRAL | Details |
| B141098 | CHEMBL4757438 | -- | -- | 481.58 | C21H31N5O6S | BASE | Details |
| B141099 | CHEMBL4757452 | -- | -- | 450.47 | C21H25F3N6O2 | BASE | Details |
| B141100 | CHEMBL4757461 | -- | -- | 5039.77 | C231H350N52O70S2 | None | Details |