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 | |
|---|---|---|---|---|---|---|---|
| B141101 | CHEMBL4757512 | -- | -- | 398.85 | C20H19ClN4O3 | NEUTRAL | Details |
| B141102 | CHEMBL4757540 | -- | -- | 575.49 | C28H25Cl2FN2O4S | ACID | Details |
| B141103 | CHEMBL4757600 | -- | -- | 5726.72 | C262H416N64O75S2 | None | Details |
| B141104 | CHEMBL4757629 | -- | -- | 274.32 | C15H18N2O3 | ACID | Details |
| B141105 | CHEMBL4757670 | -- | -- | 403.52 | C26H29NO3 | NEUTRAL | Details |
| B141106 | CHEMBL4757675 | -- | -- | 4180.57 | C184H280N52O60 | None | Details |
| B141107 | CHEMBL4757695 | -- | -- | 286.38 | C17H22N2O2 | ACID | Details |
| B141108 | CHEMBL475777 | Small molecule | -- | 504.65 | C30H37FN4O2 | ZWITTERION | Details |
| B141109 | CHEMBL4757857 | -- | -- | 429.57 | C23H35N5O3 | BASE | Details |
| B141110 | CHEMBL4757859 | -- | -- | 473.59 | C28H27NO4S | ACID | Details |
| B141111 | CHEMBL4757935 | -- | -- | 389.41 | C22H19N3O4 | ACID | Details |
| B141112 | CHEMBL4757948 | -- | -- | 458.56 | C28H30N2O4 | ACID | Details |
| B141113 | CHEMBL4758029 | -- | -- | 405.41 | C22H19N3O5 | ACID | Details |
| B141114 | CHEMBL4758064 | -- | -- | 436.63 | C26H44O5 | ACID | Details |
| B141115 | CHEMBL4758129 | -- | -- | 374.32 | C18H13F3N4O2 | NEUTRAL | Details |
| B141116 | CHEMBL4758143 | -- | -- | 471.36 | C24H21Cl2FN4O | NEUTRAL | Details |
| B141117 | CHEMBL4758148 | -- | -- | 375.82 | C17H18ClN5O3 | NEUTRAL | Details |
| B141118 | CHEMBL4758223 | -- | -- | 5011.77 | C224H354N58O68S2 | None | Details |
| B141119 | CHEMBL4758225 | -- | -- | 473.96 | C24H28ClN3O5 | NEUTRAL | Details |
| B141120 | CHEMBL4758258 | -- | -- | 547.06 | C30H31ClN4O4 | NEUTRAL | Details |
| B141121 | CHEMBL4758263 | -- | -- | 431.53 | C27H29NO4 | NEUTRAL | Details |
| B141122 | CHEMBL4758315 | -- | -- | 416.47 | C22H28N2O6 | NEUTRAL | Details |
| B141123 | CHEMBL4758363 | -- | -- | 436.63 | C26H44O5 | ACID | Details |
| B141124 | CHEMBL4758410 | -- | -- | 501.71 | C17H17ClIN5O3 | NEUTRAL | Details |
| B141125 | CHEMBL4758415 | -- | -- | 4241.68 | C184H283N55O59S | None | Details |
| B141126 | CHEMBL475858 | Small molecule | -- | 442.51 | C20H27FN2O6S | NEUTRAL | Details |
| B141127 | CHEMBL475859 | Small molecule | -- | 420.41 | C17H19F3N2O5S | NEUTRAL | Details |
| B141128 | CHEMBL4758606 | -- | -- | 362.4 | C18H18N8O | NEUTRAL | Details |
| B141129 | CHEMBL4758628 | -- | -- | 460.92 | C22H25ClN4O5 | NEUTRAL | Details |
| B141130 | CHEMBL4758738 | -- | -- | 559.54 | C28H28F3N3O6 | NEUTRAL | Details |
| B141131 | CHEMBL4758920 | -- | -- | 395.79 | C18H16ClF2N3O3 | NEUTRAL | Details |
| B141132 | CHEMBL4759004 | -- | -- | 371.27 | C14H8Cl2N2O2S2 | ACID | Details |
| B141133 | CHEMBL4759022 | -- | -- | 497.9 | C23H23ClF3N3O4 | NEUTRAL | Details |
| B141134 | CHEMBL4759025 | -- | -- | 427.34 | C22H20Cl2N4O | NEUTRAL | Details |
| B141135 | CHEMBL475908 | Small molecule | -- | 254.24 | C15H10O4 | ACID | Details |
| B141136 | CHEMBL4759085 | -- | -- | 5387.09 | C244H371N55O78S2 | None | Details |
| B141137 | CHEMBL4759089 | -- | -- | 379.85 | C20H18ClN5O | NEUTRAL | Details |
| B141138 | CHEMBL4759134 | -- | -- | 506.97 | C22H23ClN4O6S | NEUTRAL | Details |
| B141139 | CHEMBL475915 | Small molecule | -- | 429.94 | C24H28ClNO4 | ACID | Details |
| B141140 | CHEMBL475916 | Small molecule | -- | 429.94 | C24H28ClNO4 | ACID | Details |
| B141141 | CHEMBL4759182 | -- | -- | 364.37 | C16H16N10O | NEUTRAL | Details |
| B141142 | CHEMBL4759243 | -- | -- | 610.44 | C24H22BrF2N5O5S | NEUTRAL | Details |
| B141143 | CHEMBL4759334 | -- | -- | 5834.64 | C261H404N78O73S | None | Details |
| B141144 | CHEMBL4759397 | -- | -- | 315.38 | C16H21N5O2 | NEUTRAL | Details |
| B141145 | CHEMBL4759515 | -- | -- | 423.4 | C22H18FN3O5 | ACID | Details |
| B141146 | CHEMBL4759517 | -- | -- | 424.34 | C19H26BrN3O3 | NEUTRAL | Details |
| B141147 | CHEMBL475952 | Small molecule | -- | 319.32 | C15H17N3O5 | ACID | Details |
| B141148 | CHEMBL4759617 | -- | -- | 451.48 | C23H25N5O5 | ACID | Details |
| B141149 | CHEMBL475965 | Small molecule | -- | 510.6 | C29H30N6O3 | BASE | Details |
| B141150 | CHEMBL4759680 | -- | -- | 4270.68 | C188H278N46O64S2 | None | Details |
| B141151 | CHEMBL4759766 | -- | -- | 373.42 | C20H19N7O | NEUTRAL | Details |
| B141152 | CHEMBL4759784 | -- | -- | 4739.4 | C216H330N46O69S2 | None | Details |
| B141153 | CHEMBL4759848 | -- | -- | 461.93 | C25H21ClFN5O | NEUTRAL | Details |
| B141154 | CHEMBL475988 | Small molecule | -- | 421.45 | C24H23NO6 | NEUTRAL | Details |
| B141155 | CHEMBL475989 | Small molecule | -- | 473.4 | C24H18F3NO6 | NEUTRAL | Details |
| B141156 | CHEMBL4759931 | -- | -- | 463.49 | C25H25N3O6 | ACID | Details |
| B141157 | CHEMBL476 | Small molecule | DACARBAZINE | 182.19 | C6H10N6O | NEUTRAL | Details |
| B141158 | CHEMBL476008 | Small molecule | -- | 319.32 | C15H17N3O5 | ACID | Details |
| B141159 | CHEMBL4760098 | -- | -- | 464.49 | C22H27F3N6O2 | BASE | Details |
| B141160 | CHEMBL4760108 | -- | -- | 472.73 | C19H12Cl3NO5S | ACID | Details |
| B141161 | CHEMBL4760112 | -- | -- | 545.51 | C27H26F3N3O6 | ACID | Details |
| B141162 | CHEMBL4760114 | -- | -- | 429.9 | C22H24ClN3O4 | NEUTRAL | Details |
| B141163 | CHEMBL4760126 | -- | -- | 344.42 | C16H12N2O3S2 | ACID | Details |
| B141164 | CHEMBL4760127 | -- | -- | 3499.84 | C158H236N38O52 | None | Details |
| B141165 | CHEMBL4760155 | -- | -- | 368.36 | C17H19F3N4O2 | NEUTRAL | Details |
| B141166 | CHEMBL476022 | Small molecule | -- | 356.4 | C18H16N2O4S | NEUTRAL | Details |
| B141167 | CHEMBL476023 | Small molecule | -- | 434.48 | C22H18N4O4S | NEUTRAL | Details |
| B141168 | CHEMBL4760241 | -- | -- | 459.93 | C23H26ClN3O5 | NEUTRAL | Details |
| B141169 | CHEMBL4760244 | -- | -- | 506.56 | C24H44O7P2 | NEUTRAL | Details |
| B141170 | CHEMBL4760555 | -- | -- | 334.8 | C17H19ClN2O3 | NEUTRAL | Details |
| B141171 | CHEMBL4760566 | -- | -- | 482.55 | C24H33F3N4O3 | BASE | Details |
| B141172 | CHEMBL4760667 | -- | -- | 422.48 | C21H30N2O7 | NEUTRAL | Details |
| B141173 | CHEMBL4760670 | -- | -- | 437.73 | C18H18BrClN4O2 | NEUTRAL | Details |
| B141174 | CHEMBL4760686 | -- | -- | 609.57 | C28H24F5N3O5S | ACID | Details |
| B141175 | CHEMBL4760772 | -- | -- | 474.38 | C20H20BrN5O2S | NEUTRAL | Details |
| B141176 | CHEMBL4760865 | -- | -- | 284.36 | C18H20O3 | NEUTRAL | Details |
| B141177 | CHEMBL4760897 | -- | -- | 401.82 | C16H14ClF2N3O3S | NEUTRAL | Details |
| B141178 | CHEMBL4760931 | -- | -- | 4942.62 | C219H343N57O69S2 | None | Details |
| B141179 | CHEMBL4761004 | -- | -- | 276.68 | C13H9ClN2O3 | NEUTRAL | Details |
| B141180 | CHEMBL4761047 | -- | -- | 4339.88 | C188H285N55O58S3 | None | Details |
| B141181 | CHEMBL4761070 | -- | -- | 409.88 | C21H20ClN5O2 | NEUTRAL | Details |
| B141182 | CHEMBL4761137 | -- | -- | 473.96 | C24H28ClN3O5 | NEUTRAL | Details |
| B141183 | CHEMBL4761180 | -- | -- | 448.52 | C25H28N4O4 | NEUTRAL | Details |
| B141184 | CHEMBL4761252 | -- | -- | 386.5 | C25H26N2O2 | NEUTRAL | Details |
| B141185 | CHEMBL4761266 | -- | -- | 459.93 | C22H26ClN5O4 | NEUTRAL | Details |
| B141186 | CHEMBL4761273 | -- | -- | 1197.48 | C64H90F2N10O10 | None | Details |
| B141187 | CHEMBL4761277 | -- | -- | 531.53 | C27H28F3N3O5 | NEUTRAL | Details |
| B141188 | CHEMBL4761283 | -- | -- | 430.83 | C20H21ClF2O6 | NEUTRAL | Details |
| B141189 | CHEMBL4761285 | -- | -- | 419.44 | C23H21N3O5 | ACID | Details |
| B141190 | CHEMBL476135 | Small molecule | -- | 332.88 | C16H13ClN2S2 | NEUTRAL | Details |
| B141191 | CHEMBL4761365 | -- | -- | 411.94 | C22H26ClN5O | NEUTRAL | Details |
| B141192 | CHEMBL4761385 | -- | -- | 625.73 | C31H53N3O6P2 | NEUTRAL | Details |
| B141193 | CHEMBL4761540 | -- | -- | 348.81 | C16H13ClN2O3S | NEUTRAL | Details |
| B141194 | CHEMBL4761554 | -- | -- | 440.24 | C18H16BrF2N3O3 | NEUTRAL | Details |
| B141195 | CHEMBL4761559 | -- | -- | 434.34 | C19H24BrN5O2 | NEUTRAL | Details |
| B141196 | CHEMBL4761614 | -- | -- | 914.15 | C47H73F2N9O7 | BASE | Details |
| B141197 | CHEMBL476172 | Small molecule | -- | 319.32 | C15H17N3O5 | ACID | Details |
| B141198 | CHEMBL476173 | Small molecule | -- | 332.36 | C16H20N4O4 | ACID | Details |
| B141199 | CHEMBL4761797 | -- | -- | 443.93 | C23H26ClN3O4 | NEUTRAL | Details |
| B141200 | CHEMBL4761865 | -- | -- | 390.41 | C19H18N8O2 | NEUTRAL | Details |