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 | |
|---|---|---|---|---|---|---|---|
| B138101 | CHEMBL4436626 | -- | -- | 444.57 | C26H36O6 | NEUTRAL | Details |
| B138102 | CHEMBL4436630 | -- | -- | 504.82 | C24H13ClF4N2O4 | ACID | Details |
| B138103 | CHEMBL4436651 | -- | -- | 444.3 | C21H19BrFN3O2 | NEUTRAL | Details |
| B138104 | CHEMBL4436692 | -- | -- | 388.43 | C22H20N4O3 | NEUTRAL | Details |
| B138105 | CHEMBL4436717 | -- | -- | 354.45 | C18H30N2O5 | NEUTRAL | Details |
| B138106 | CHEMBL4436748 | -- | SR-318 | 459.59 | C27H33N5O2 | NEUTRAL | Details |
| B138107 | CHEMBL4436758 | -- | -- | 303.41 | C15H13NO2S2 | NEUTRAL | Details |
| B138108 | CHEMBL4436761 | -- | -- | 393.32 | C18H14F3N3O4 | ACID | Details |
| B138109 | CHEMBL4436842 | -- | -- | 413.87 | C20H20ClN5O3 | ACID | Details |
| B138110 | CHEMBL4436895 | -- | -- | 388.2 | C17H11BrFN3O2 | NEUTRAL | Details |
| B138111 | CHEMBL4436948 | -- | -- | 373.41 | C19H16FNO4S | ACID | Details |
| B138112 | CHEMBL4437063 | -- | -- | 453.5 | C24H27N3O6 | NEUTRAL | Details |
| B138113 | CHEMBL4437067 | -- | -- | 297.35 | C15H23NO5 | NEUTRAL | Details |
| B138114 | CHEMBL4437146 | -- | -- | 691.66 | C34H25F4N5O5S | ACID | Details |
| B138115 | CHEMBL4437154 | -- | -- | 505.42 | C22H21F6N3O4 | BASE | Details |
| B138116 | CHEMBL4437194 | -- | -- | 468.68 | C30H44O4 | NEUTRAL | Details |
| B138117 | CHEMBL443730 | Small molecule | -- | 554.81 | C33H42N6S | BASE | Details |
| B138118 | CHEMBL4437331 | -- | -- | 563.81 | C33H45N3O3S | ACID | Details |
| B138119 | CHEMBL4437372 | -- | -- | 520.71 | C30H48O7 | NEUTRAL | Details |
| B138120 | CHEMBL4437509 | -- | -- | 585.74 | C33H47NO8 | NEUTRAL | Details |
| B138121 | CHEMBL4437601 | -- | -- | 426.31 | C22H20BrNO3 | ACID | Details |
| B138122 | CHEMBL4437640 | -- | -- | 489.45 | C23H22F3N5O4 | NEUTRAL | Details |
| B138123 | CHEMBL4437718 | -- | -- | 506.36 | C21H24Cl2F3N5O2 | BASE | Details |
| B138124 | CHEMBL4437814 | -- | -- | 522.89 | C23H14ClF3N2O5S | ACID | Details |
| B138125 | CHEMBL4437833 | -- | -- | 337.35 | C19H16FN3O2 | NEUTRAL | Details |
| B138126 | CHEMBL4437844 | -- | -- | 252.35 | C15H24O3 | NEUTRAL | Details |
| B138127 | CHEMBL4437983 | -- | -- | 487.82 | C15H17Cl3N4O4S2 | ACID | Details |
| B138128 | CHEMBL4438024 | -- | -- | 265.19 | C10H18Cl2N4 | NEUTRAL | Details |
| B138129 | CHEMBL4438122 | -- | -- | 941.1 | C43H68N14O10 | ZWITTERION | Details |
| B138130 | CHEMBL4438177 | -- | -- | 470.54 | C30H27FO4 | ACID | Details |
| B138131 | CHEMBL4438199 | -- | -- | 445.83 | C19H19ClF3N3O4 | ZWITTERION | Details |
| B138132 | CHEMBL4438226 | -- | -- | 472.46 | C25H23F3N2O4 | ACID | Details |
| B138133 | CHEMBL4438235 | -- | -- | 472.41 | C21H24Cl2FN3O2S | BASE | Details |
| B138134 | CHEMBL4438276 | -- | -- | 489.45 | C23H22F3N5O4 | NEUTRAL | Details |
| B138135 | CHEMBL4438301 | -- | -- | 351.38 | C21H18FNO3 | ACID | Details |
| B138136 | CHEMBL4438377 | -- | -- | 290.54 | C10H9BrClNO2 | NEUTRAL | Details |
| B138137 | CHEMBL4438380 | -- | -- | 478.88 | C22H14ClF3N2O3S | ACID | Details |
| B138138 | CHEMBL4438407 | -- | -- | 343.82 | C17H18ClN5O | NEUTRAL | Details |
| B138139 | CHEMBL4438435 | -- | -- | 590.19 | C33H36ClN3O3S | ACID | Details |
| B138140 | CHEMBL4438537 | -- | -- | 394.46 | C20H23FO5S | NEUTRAL | Details |
| B138141 | CHEMBL4438585 | -- | -- | 879.84 | C51H44Cl2N4O6 | ACID | Details |
| B138142 | CHEMBL4438636 | -- | -- | 558.6 | C30H33F3N2O5 | ZWITTERION | Details |
| B138143 | CHEMBL4438703 | -- | -- | 446.35 | C19H21Cl2NO5S | NEUTRAL | Details |
| B138144 | CHEMBL4438748 | -- | -- | 457.49 | C26H23N3O5 | NEUTRAL | Details |
| B138145 | CHEMBL4438749 | -- | -- | 569.55 | C31H27F4NO5 | ACID | Details |
| B138146 | CHEMBL4438792 | -- | -- | 243.31 | C14H17N3O | BASE | Details |
| B138147 | CHEMBL4438849 | -- | -- | 466.42 | C20H21F3N6O4 | NEUTRAL | Details |
| B138148 | CHEMBL4438878 | -- | -- | 537.73 | C30H39N3O4S | ACID | Details |
| B138149 | CHEMBL4438921 | -- | -- | 477.5 | C25H24FN5O4 | BASE | Details |
| B138150 | CHEMBL4439014 | -- | -- | 423.9 | C22H22ClN5O2 | NEUTRAL | Details |
| B138151 | CHEMBL4439033 | -- | -- | 352.23 | C15H15Cl2N5O | NEUTRAL | Details |
| B138152 | CHEMBL4439052 | -- | -- | 303.39 | C15H17N3O2S | ACID | Details |
| B138153 | CHEMBL443910 | Small molecule | -- | 425.41 | C23H20FNO6 | NEUTRAL | Details |
| B138154 | CHEMBL4439162 | -- | -- | 499.44 | C17H17Cl2FN2O4S3 | NEUTRAL | Details |
| B138155 | CHEMBL4439164 | -- | -- | 365.43 | C21H23N3O3 | ACID | Details |
| B138156 | CHEMBL4439223 | -- | -- | 402.85 | C21H20ClFN2O3 | NEUTRAL | Details |
| B138157 | CHEMBL4439263 | -- | -- | 312.75 | C14H17ClN2O4 | NEUTRAL | Details |
| B138158 | CHEMBL4439339 | -- | -- | 423.9 | C22H22ClN5O2 | NEUTRAL | Details |
| B138159 | CHEMBL4439354 | -- | -- | 341.45 | C21H27NO3 | NEUTRAL | Details |
| B138160 | CHEMBL443936 | Small molecule | -- | 562.76 | C36H42N4O2 | ZWITTERION | Details |
| B138161 | CHEMBL4439373 | -- | -- | 518.61 | C33H30N2O4 | ACID | Details |
| B138162 | CHEMBL4439403 | -- | -- | 405.8 | C17H19ClF3N3O3 | BASE | Details |
| B138163 | CHEMBL4439437 | -- | -- | 400.9 | C18H22ClFN2O3S | BASE | Details |
| B138164 | CHEMBL443949 | Small molecule | -- | 152.24 | C10H16O | NEUTRAL | Details |
| B138165 | CHEMBL4439652 | -- | -- | 559.68 | C31H42FNO7 | NEUTRAL | Details |
| B138166 | CHEMBL4439673 | -- | -- | 683.89 | C38H57N3O8 | BASE | Details |
| B138167 | CHEMBL4439690 | -- | -- | 563.49 | C25H20F7NO4S | NEUTRAL | Details |
| B138168 | CHEMBL4439854 | -- | -- | 495.14 | C20H14Br2FNO3 | NEUTRAL | Details |
| B138169 | CHEMBL4439891 | -- | -- | 321.76 | C15H16ClN3O3 | ACID | Details |
| B138170 | CHEMBL4439986 | -- | -- | 364.45 | C22H24N2O3 | NEUTRAL | Details |
| B138171 | CHEMBL4440001 | -- | -- | 485.57 | C23H27N5O5S | NEUTRAL | Details |
| B138172 | CHEMBL4440024 | -- | -- | 403.48 | C24H25N3O3 | NEUTRAL | Details |
| B138173 | CHEMBL4440104 | -- | -- | 425.87 | C22H20ClN3O4 | NEUTRAL | Details |
| B138174 | CHEMBL4440250 | -- | -- | 439.94 | C24H26ClN3O3 | NEUTRAL | Details |
| B138175 | CHEMBL4440293 | -- | -- | 373.76 | C16H15ClF3N3O2 | BASE | Details |
| B138176 | CHEMBL4440299 | -- | -- | 355.41 | C20H22FN3O2 | ACID | Details |
| B138177 | CHEMBL444034 | Small molecule | -- | 603.63 | C35H29N3O7 | ACID | Details |
| B138178 | CHEMBL4440354 | -- | -- | 624.65 | C34H30F2N6O4 | ACID | Details |
| B138179 | CHEMBL4440381 | -- | -- | 464.5 | C24H25FN6O3 | NEUTRAL | Details |
| B138180 | CHEMBL4440389 | -- | -- | 392.45 | C24H24O5 | NEUTRAL | Details |
| B138181 | CHEMBL4440410 | -- | -- | 438.84 | C20H18ClF3N4O2 | NEUTRAL | Details |
| B138182 | CHEMBL4440464 | -- | -- | 445.83 | C19H19ClF3N3O4 | ZWITTERION | Details |
| B138183 | CHEMBL4440569 | -- | -- | 456.34 | C22H22BrN3O3 | NEUTRAL | Details |
| B138184 | CHEMBL4440578 | -- | -- | 471.53 | C29H26FNO4 | ACID | Details |
| B138185 | CHEMBL4440608 | -- | -- | 411.89 | C22H22ClN3O3 | NEUTRAL | Details |
| B138186 | CHEMBL444065 | Small molecule | -- | 716.23 | C34H39ClFN5O7S | ACID | Details |
| B138187 | CHEMBL4440716 | -- | -- | 369.44 | C21H24FN3O2 | ACID | Details |
| B138188 | CHEMBL4440852 | -- | -- | 471.53 | C29H26FNO4 | ACID | Details |
| B138189 | CHEMBL444088 | Small molecule | -- | 553.62 | C31H31N5O5 | ACID | Details |
| B138190 | CHEMBL4440882 | -- | -- | 451.8 | C18H18ClF4N3O4 | BASE | Details |
| B138191 | CHEMBL4440913 | -- | -- | 382.5 | C20H34N2O5 | NEUTRAL | Details |
| B138192 | CHEMBL4440922 | -- | -- | 425.53 | C24H24FNO3S | ACID | Details |
| B138193 | CHEMBL4440944 | -- | -- | 657.24 | C34H37ClN8O2S | ACID | Details |
| B138194 | CHEMBL4441053 | -- | -- | 380.88 | C13H17ClN2O5S2 | NEUTRAL | Details |
| B138195 | CHEMBL4441069 | -- | -- | 376.53 | C17H16N2O2S3 | NEUTRAL | Details |
| B138196 | CHEMBL4441130 | -- | -- | 392.53 | C17H16N2O3S3 | NEUTRAL | Details |
| B138197 | CHEMBL4441145 | -- | -- | 465.83 | C19H20ClF4N3O4 | BASE | Details |
| B138198 | CHEMBL4441170 | -- | -- | 392.33 | C14H15Cl2N3O2S2 | NEUTRAL | Details |
| B138199 | CHEMBL4441173 | -- | -- | 407.54 | C18H17NO4S3 | NEUTRAL | Details |
| B138200 | CHEMBL4441247 | -- | -- | 505.66 | C31H39NO5 | NEUTRAL | Details |