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 | |
|---|---|---|---|---|---|---|---|
| B001101 | CHEMBL112570 | Small molecule | CHOLESTEROL | 386.66 | C27H46O | NEUTRAL | Details |
| B001102 | CHEMBL112597 | Small molecule | -- | 215.28 | C11H9N3S | NEUTRAL | Details |
| B001103 | CHEMBL112610 | Small molecule | -- | 212.28 | C12H8N2S | NEUTRAL | Details |
| B001104 | CHEMBL112659 | Small molecule | -- | 545.51 | C27H36IN3O | NEUTRAL | Details |
| B001105 | CHEMBL112686 | Small molecule | -- | 512.49 | C27H34BrN3O2 | BASE | Details |
| B001106 | CHEMBL112725 | Small molecule | -- | 500.95 | C27H26ClFO6 | ACID | Details |
| B001107 | CHEMBL112760 | Small molecule | -- | 526.52 | C28H36BrN3O2 | BASE | Details |
| B001108 | CHEMBL112790 | Small molecule | -- | 468.93 | C26H25ClO6 | ACID | Details |
| B001109 | CHEMBL1129 | Small molecule | TRIFLURIDINE | 296.2 | C10H11F3N2O5 | NEUTRAL | Details |
| B001110 | CHEMBL112973 | Small molecule | -- | 466.51 | C27H27FO6 | ACID | Details |
| B001111 | CHEMBL113 | Small molecule | CAFFEINE | 194.19 | C8H10N4O2 | NEUTRAL | Details |
| B001112 | CHEMBL1130 | Small molecule | DOXIFLURIDINE | 246.19 | C9H11FN2O5 | NEUTRAL | Details |
| B001113 | CHEMBL113006 | Small molecule | -- | 341.41 | C23H19NO2 | ACID | Details |
| B001114 | CHEMBL113012 | Protein | -- | 599.04 | C29H31ClN4O8 | ACID | Details |
| B001115 | CHEMBL113042 | Small molecule | -- | 533.14 | C27H37ClN4O3S | NEUTRAL | Details |
| B001116 | CHEMBL113072 | Small molecule | -- | 511.73 | C29H41N3O3S | NEUTRAL | Details |
| B001117 | CHEMBL11308 | Small molecule | -- | 271.29 | C16H14FNO2 | NEUTRAL | Details |
| B001118 | CHEMBL113154 | Small molecule | -- | 580.94 | C26H34ClIN4O | BASE | Details |
| B001119 | CHEMBL1133 | Small molecule | OXYBUTYNIN CHLORIDE | 393.96 | C22H32ClNO3 | BASE | Details |
| B001120 | CHEMBL113301 | Small molecule | -- | 529.66 | C31H31NO5S | ACID | Details |
| B001121 | CHEMBL113324 | Small molecule | -- | 568.69 | C31H36O8S | ACID | Details |
| B001122 | CHEMBL113436 | Small molecule | -- | 502.63 | C28H37F3N4O | BASE | Details |
| B001123 | CHEMBL113442 | Small molecule | -- | 385.37 | C20H19NO7 | NEUTRAL | Details |
| B001124 | CHEMBL1135 | Small molecule | DIMETHYLAMINOETHANOL | 89.14 | C4H11NO | BASE | Details |
| B001125 | CHEMBL113587 | Small molecule | -- | 327.38 | C22H17NO2 | ACID | Details |
| B001126 | CHEMBL11359 | Small molecule | CISPLATIN | 300.05 | H6Cl2N2Pt+2 | None | Details |
| B001127 | CHEMBL113600 | Small molecule | -- | 176.26 | C11H16N2 | BASE | Details |
| B001128 | CHEMBL113648 | Small molecule | -- | 531.48 | C26H34IN3O | NEUTRAL | Details |
| B001129 | CHEMBL1138 | Small molecule | EZETIMIBE | 409.43 | C24H21F2NO3 | NEUTRAL | Details |
| B001130 | CHEMBL114 | Small molecule | SAQUINAVIR | 670.86 | C38H50N6O5 | NEUTRAL | Details |
| B001131 | CHEMBL1140 | Small molecule | NIACINAMIDE | 122.13 | C6H6N2O | NEUTRAL | Details |
| B001132 | CHEMBL1142 | Small molecule | 4-AMINOPHENOL | 109.13 | C6H7NO | NEUTRAL | Details |
| B001133 | CHEMBL114249 | Small molecule | -- | 227.29 | C12H9N3S | NEUTRAL | Details |
| B001134 | CHEMBL114286 | Small molecule | -- | 476.57 | C29H32O6 | ACID | Details |
| B001135 | CHEMBL114330 | Small molecule | -- | 506.56 | C24H34N4O8 | ACID | Details |
| B001136 | CHEMBL114343 | Small molecule | -- | 384.39 | C20H20N2O6 | NEUTRAL | Details |
| B001137 | CHEMBL1144 | Small molecule | PRAVASTATIN | 424.53 | C23H36O7 | ACID | Details |
| B001138 | CHEMBL11440 | Small molecule | -- | 330.19 | C13H6F4N2O4 | NEUTRAL | Details |
| B001139 | CHEMBL114531 | Small molecule | -- | 701.7 | C34H38F3N5O8 | ACID | Details |
| B001140 | CHEMBL114544 | Small molecule | -- | 214.29 | C12H10N2S | NEUTRAL | Details |
| B001141 | CHEMBL114653 | Small molecule | -- | 407.47 | C22H25N5O3 | ACID | Details |
| B001142 | CHEMBL114719 | Small molecule | -- | 167.12 | C7H5NO4 | ACID | Details |
| B001143 | CHEMBL11475 | Small molecule | -- | 204.18 | C11H8O4 | NEUTRAL | Details |
| B001144 | CHEMBL114791 | Small molecule | -- | 499.52 | C28H25N3O6 | ACID | Details |
| B001145 | CHEMBL1148 | Small molecule | TORSEMIDE | 348.43 | C16H20N4O3S | ACID | Details |
| B001146 | CHEMBL114830 | Small molecule | -- | 544.63 | C26H32N4O7S | ACID | Details |
| B001147 | CHEMBL114896 | Small molecule | -- | 687.51 | C30H24Cl2N4O9S | ACID | Details |
| B001148 | CHEMBL114898 | Small molecule | -- | 366.42 | C20H22N4O3 | NEUTRAL | Details |
| B001149 | CHEMBL1149 | Small molecule | LEVOCARNITINE | 161.2 | C7H15NO3 | ACID | Details |
| B001150 | CHEMBL114952 | Small molecule | -- | 562.58 | C29H30N4O8 | ACID | Details |
| B001151 | CHEMBL115 | Small molecule | INDINAVIR | 613.8 | C36H47N5O4 | NEUTRAL | Details |
| B001152 | CHEMBL115021 | Small molecule | -- | 416.49 | C23H24N6O2 | ACID | Details |
| B001153 | CHEMBL115090 | Small molecule | -- | 582.66 | C33H34N4O6 | ACID | Details |
| B001154 | CHEMBL115137 | Small molecule | -- | 251.28 | C16H13NO2 | ACID | Details |
| B001155 | CHEMBL115252 | Small molecule | -- | 427.48 | C22H21NO6S | ACID | Details |
| B001156 | CHEMBL11528 | Small molecule | -- | 562.69 | C30H34N4O5S | ACID | Details |
| B001157 | CHEMBL1153 | Small molecule | DIGOXIGENIN | 390.52 | C23H34O5 | NEUTRAL | Details |
| B001158 | CHEMBL115307 | Small molecule | -- | 408.54 | C23H36O6 | NEUTRAL | Details |
| B001159 | CHEMBL115310 | Small molecule | -- | 279.34 | C18H17NO2 | ACID | Details |
| B001160 | CHEMBL115328 | Small molecule | -- | 431.45 | C21H25N3O7 | ACID | Details |
| B001161 | CHEMBL115336 | Small molecule | -- | 610.67 | C34H34N4O7 | ACID | Details |
| B001162 | CHEMBL115448 | Small molecule | -- | 426.54 | C26H22N2O2S | NEUTRAL | Details |
| B001163 | CHEMBL115463 | Small molecule | -- | 384.43 | C22H24O6 | ACID | Details |
| B001164 | CHEMBL115487 | Small molecule | -- | 501.64 | C29H38F3N3O | BASE | Details |
| B001165 | CHEMBL115512 | Small molecule | -- | 231.23 | C8H9NO5S | ACID | Details |
| B001166 | CHEMBL115598 | Protein | -- | 488.5 | C23H28N4O8 | ACID | Details |
| B001167 | CHEMBL115604 | Small molecule | -- | 409.4 | C21H22F3NO4 | ACID | Details |
| B001168 | CHEMBL115620 | Protein | -- | 564.6 | C29H32N4O8 | ACID | Details |
| B001169 | CHEMBL115622 | Small molecule | -- | 435.53 | C24H29N5O3 | ACID | Details |
| B001170 | CHEMBL1157 | Small molecule | ADIPIC ACID | 146.14 | C6H10O4 | ACID | Details |
| B001171 | CHEMBL115716 | Small molecule | -- | 559.54 | C28H38IN3O | BASE | Details |
| B001172 | CHEMBL115769 | Small molecule | -- | 334.35 | C19H15FN4O | NEUTRAL | Details |
| B001173 | CHEMBL115783 | Small molecule | -- | 501.56 | C28H28FN5O3 | ACID | Details |
| B001174 | CHEMBL115823 | Small molecule | -- | 551.64 | C30H37N3O7 | ACID | Details |
| B001175 | CHEMBL1159 | Small molecule | PINACIDIL | 245.33 | C13H19N5 | NEUTRAL | Details |
| B001176 | CHEMBL115952 | Small molecule | -- | 620.66 | C32H36N4O9 | ACID | Details |
| B001177 | CHEMBL1159650 | Small molecule | CLOBETASOL PROPIONATE | 466.98 | C25H32ClFO5 | NEUTRAL | Details |
| B001178 | CHEMBL1159655 | Small molecule | -- | 567.8 | C32H45N3O4S | NEUTRAL | Details |
| B001179 | CHEMBL116 | Small molecule | AMPRENAVIR | 505.64 | C25H35N3O6S | NEUTRAL | Details |
| B001180 | CHEMBL1160028 | Small molecule | TETRAIDOFLUORESCEIN | 835.89 | C20H8I4O5 | ACID | Details |
| B001181 | CHEMBL116008 | Small molecule | -- | 531.48 | C26H34IN3O | NEUTRAL | Details |
| B001182 | CHEMBL1160160 | Small molecule | ROSE BENGAL | 973.67 | C20H4Cl4I4O5 | ACID | Details |
| B001183 | CHEMBL116043 | Small molecule | -- | 391.42 | C24H19F2NO2 | ACID | Details |
| B001184 | CHEMBL1160508 | Small molecule | -- | 153.16 | C3H7NO4S | ZWITTERION | Details |
| B001185 | CHEMBL1160520 | Small molecule | -- | 575.71 | C28H45N7O6 | ACID | Details |
| B001186 | CHEMBL1160544 | Small molecule | TERBUTALINE SULFATE | 323.37 | C12H21NO7S | BASE | Details |
| B001187 | CHEMBL1160598 | Small molecule | -- | 656.46 | C25H23F7N4O9 | ACID | Details |
| B001188 | CHEMBL1160621 | Small molecule | -- | 657.45 | C24H22F7N5O9 | ACID | Details |
| B001189 | CHEMBL1160622 | Small molecule | -- | 656.46 | C25H23F7N4O9 | ACID | Details |
| B001190 | CHEMBL1160819 | Small molecule | AMMONIA SOLUTION, STRONG | 17.03 | H3N | BASE | Details |
| B001191 | CHEMBL1160899 | Small molecule | -- | 728.86 | C40H44N2O9S | ZWITTERION | Details |
| B001192 | CHEMBL1161 | Small molecule | MOMETASONE FUROATE | 521.44 | C27H30Cl2O6 | NEUTRAL | Details |
| B001193 | CHEMBL116124 | Small molecule | -- | 583.64 | C30H37N3O9 | ACID | Details |
| B001194 | CHEMBL1161639 | Small molecule | -- | 482.4 | C23H19F5N2O4 | ACID | Details |
| B001195 | CHEMBL1161640 | Small molecule | -- | 466.55 | C27H31FN2O4 | ACID | Details |
| B001196 | CHEMBL1161641 | Small molecule | -- | 516.59 | C26H29FN2O6S | ACID | Details |
| B001197 | CHEMBL1161642 | Small molecule | -- | 534.4 | C26H26BrF2NO4 | ACID | Details |
| B001198 | CHEMBL1161643 | Small molecule | -- | 428.44 | C23H22F2N2O4 | ACID | Details |
| B001199 | CHEMBL1161644 | Small molecule | -- | 455.5 | C26H27F2NO4 | ACID | Details |
| B001200 | CHEMBL1161645 | Small molecule | -- | 470.52 | C26H28F2N2O4 | ACID | Details |