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 | |
|---|---|---|---|---|---|---|---|
| B139101 | CHEMBL45176 | Small molecule | VISNAGIN | 230.22 | C13H10O4 | NEUTRAL | Details |
| B139102 | CHEMBL4517627 | -- | -- | 559.63 | C33H29N5O4 | NEUTRAL | Details |
| B139103 | CHEMBL4517719 | -- | -- | 421.29 | C22H14Cl2N4O | NEUTRAL | Details |
| B139104 | CHEMBL4517798 | -- | -- | 514.89 | C17H22Cl3N5O3S2 | NEUTRAL | Details |
| B139105 | CHEMBL4517866 | -- | -- | 384.48 | C24H24N4O | NEUTRAL | Details |
| B139106 | CHEMBL4518059 | -- | -- | 498.84 | C17H18Cl3N3O4S2 | ACID | Details |
| B139107 | CHEMBL451810 | Small molecule | -- | 122.99 | C3H7Br | None | Details |
| B139108 | CHEMBL4518127 | -- | -- | 881.98 | C49H49F2N9O5 | ACID | Details |
| B139109 | CHEMBL4518138 | -- | -- | 504.71 | C30H48O6 | NEUTRAL | Details |
| B139110 | CHEMBL4518178 | -- | -- | 400.87 | C19H21ClN6O2 | NEUTRAL | Details |
| B139111 | CHEMBL4518318 | -- | -- | 926.09 | C43H67N13O10 | ZWITTERION | Details |
| B139112 | CHEMBL4518342 | -- | THPP-1-NC | 493.45 | C26H29BrN4O | NEUTRAL | Details |
| B139113 | CHEMBL4518420 | -- | -- | 928.08 | C43H66FN13O9 | ZWITTERION | Details |
| B139114 | CHEMBL4518483 | Small molecule | DANUGLIPRON | 555.61 | C31H30FN5O4 | ACID | Details |
| B139115 | CHEMBL4518496 | -- | -- | 401.47 | C24H23N3O3 | NEUTRAL | Details |
| B139116 | CHEMBL4518530 | -- | -- | 954.14 | C45H71N13O10 | ZWITTERION | Details |
| B139117 | CHEMBL4518548 | -- | -- | 496.54 | C29H25FN4O3 | ACID | Details |
| B139118 | CHEMBL4518683 | -- | -- | 177.27 | C10H11NS | BASE | Details |
| B139119 | CHEMBL4518706 | -- | PF-00911705 | 508.49 | C20H19F3N8O3S | NEUTRAL | Details |
| B139120 | CHEMBL4518713 | -- | -- | 424.76 | C19H12ClF3N2O4 | ACID | Details |
| B139121 | CHEMBL4518775 | -- | -- | 367.33 | C17H16F3N3O3 | ACID | Details |
| B139122 | CHEMBL4518789 | -- | -- | 293.75 | C15H16ClNO3 | NEUTRAL | Details |
| B139123 | CHEMBL4518803 | -- | -- | 287.75 | C16H14ClNO2 | NEUTRAL | Details |
| B139124 | CHEMBL451887 | Protein | CARFILZOMIB | 719.92 | C40H57N5O7 | NEUTRAL | Details |
| B139125 | CHEMBL4519021 | -- | -- | 621.59 | C33H27F4N3O5 | ACID | Details |
| B139126 | CHEMBL4519152 | -- | -- | 351.8 | C18H19ClFNO3 | NEUTRAL | Details |
| B139127 | CHEMBL4519227 | -- | -- | 734.73 | C34H38O16S | NEUTRAL | Details |
| B139128 | CHEMBL4519228 | -- | -- | 349.78 | C15H16ClN5O3 | NEUTRAL | Details |
| B139129 | CHEMBL4519240 | -- | -- | 291.42 | C15H21N3OS | NEUTRAL | Details |
| B139130 | CHEMBL4519279 | -- | -- | 430.51 | C25H26N4O3 | NEUTRAL | Details |
| B139131 | CHEMBL4519376 | -- | -- | 428.58 | C22H24N2O3S2 | ACID | Details |
| B139132 | CHEMBL4519409 | -- | -- | 299.31 | C15H14FN5O | NEUTRAL | Details |
| B139133 | CHEMBL4519419 | -- | -- | 635.81 | C38H45N5O4 | NEUTRAL | Details |
| B139134 | CHEMBL4519533 | -- | -- | 331.39 | C19H22FNO3 | NEUTRAL | Details |
| B139135 | CHEMBL4519539 | -- | -- | 371.44 | C19H25N5O3 | NEUTRAL | Details |
| B139136 | CHEMBL4519542 | -- | -- | 400.56 | C25H36O4 | ACID | Details |
| B139137 | CHEMBL4519596 | -- | -- | 444.66 | C27H44N2O3 | NEUTRAL | Details |
| B139138 | CHEMBL4519598 | -- | -- | 424.98 | C22H17ClN2OS2 | NEUTRAL | Details |
| B139139 | CHEMBL4519624 | -- | -- | 351.45 | C21H25N3O2 | NEUTRAL | Details |
| B139140 | CHEMBL4519821 | -- | -- | 342.75 | C15H16ClFN2O4 | NEUTRAL | Details |
| B139141 | CHEMBL4519986 | -- | -- | 504.75 | C31H52O5 | NEUTRAL | Details |
| B139142 | CHEMBL452 | Small molecule | CLONAZEPAM | 315.72 | C15H10ClN3O3 | NEUTRAL | Details |
| B139143 | CHEMBL452002 | Small molecule | -- | 291.73 | C15H14ClNO3 | NEUTRAL | Details |
| B139144 | CHEMBL4520094 | -- | -- | 441.97 | C17H20ClN5O3S2 | NEUTRAL | Details |
| B139145 | CHEMBL4520213 | -- | -- | 397.49 | C19H27NO6S | NEUTRAL | Details |
| B139146 | CHEMBL4520267 | -- | -- | 392.43 | C23H21FN2O3 | NEUTRAL | Details |
| B139147 | CHEMBL4520306 | -- | -- | 359.35 | C19H16F3N3O | BASE | Details |
| B139148 | CHEMBL452051 | Small molecule | -- | 531.91 | C27H21ClF3NO5 | ACID | Details |
| B139149 | CHEMBL452054 | Small molecule | -- | 471.34 | C24H20Cl2N2O4 | ACID | Details |
| B139150 | CHEMBL4520583 | -- | -- | 442.83 | C18H18ClF3N6O2 | BASE | Details |
| B139151 | CHEMBL4520768 | -- | -- | 391.47 | C24H25NO4 | ACID | Details |
| B139152 | CHEMBL4520788 | -- | BAY-294 | 448.59 | C25H28N4O2S | BASE | Details |
| B139153 | CHEMBL4520827 | -- | -- | 487.68 | C27H33N7S | ZWITTERION | Details |
| B139154 | CHEMBL4520871 | -- | -- | 360.82 | C14H17ClN2O5S | NEUTRAL | Details |
| B139155 | CHEMBL4520906 | -- | -- | 384.47 | C23H28O5 | NEUTRAL | Details |
| B139156 | CHEMBL4521016 | -- | -- | 450.92 | C23H27ClO7 | NEUTRAL | Details |
| B139157 | CHEMBL4521045 | -- | -- | 267.37 | C12H13NO2S2 | NEUTRAL | Details |
| B139158 | CHEMBL4521316 | -- | -- | 303.74 | C13H18ClNO5 | NEUTRAL | Details |
| B139159 | CHEMBL4521353 | -- | -- | 230.31 | C14H18N2O | NEUTRAL | Details |
| B139160 | CHEMBL4521388 | -- | -- | 516.6 | C29H32N4O5 | ACID | Details |
| B139161 | CHEMBL452139 | Small molecule | -- | 603.71 | C30H38FN3O7S | ACID | Details |
| B139162 | CHEMBL4521483 | -- | -- | 414.85 | C20H19ClN4O4 | ACID | Details |
| B139163 | CHEMBL452153 | Small molecule | -- | 206.25 | C14H10N2 | NEUTRAL | Details |
| B139164 | CHEMBL4521594 | -- | BAY-1797 | 416.89 | C20H17ClN2O4S | NEUTRAL | Details |
| B139165 | CHEMBL4521618 | -- | -- | 240.1 | C10H10BrNO | NEUTRAL | Details |
| B139166 | CHEMBL4521655 | -- | -- | 219.35 | C13H17NS | BASE | Details |
| B139167 | CHEMBL4521694 | -- | -- | 309.33 | C16H15N5O2 | NEUTRAL | Details |
| B139168 | CHEMBL4521752 | -- | -- | 253.1 | C10H9BrN2O | BASE | Details |
| B139169 | CHEMBL4522023 | -- | -- | 268.4 | C16H28O3 | ACID | Details |
| B139170 | CHEMBL4522038 | -- | -- | 905.03 | C43H60N12O10 | ZWITTERION | Details |
| B139171 | CHEMBL4522045 | -- | -- | 353.51 | C23H31NO2 | NEUTRAL | Details |
| B139172 | CHEMBL4522124 | -- | -- | 351.41 | C20H21N3O3 | ZWITTERION | Details |
| B139173 | CHEMBL452214 | Small molecule | -- | 1022.66 | C56H64ClN3O11S | None | Details |
| B139174 | CHEMBL4522217 | -- | -- | 461.83 | C22H15ClF3N3O3 | ACID | Details |
| B139175 | CHEMBL4522227 | -- | -- | 424.89 | C21H21ClN6O2 | NEUTRAL | Details |
| B139176 | CHEMBL4522246 | -- | -- | 940.12 | C44H69N13O10 | ZWITTERION | Details |
| B139177 | CHEMBL452241 | Small molecule | -- | 238.34 | C10H10N2OS2 | NEUTRAL | Details |
| B139178 | CHEMBL4522441 | -- | -- | 371.87 | C20H22ClN3O2 | ACID | Details |
| B139179 | CHEMBL4522532 | -- | -- | 371.83 | C18H18ClN5O2 | NEUTRAL | Details |
| B139180 | CHEMBL4522643 | -- | -- | 324.3 | C13H27Cl2N5 | BASE | Details |
| B139181 | CHEMBL4522646 | -- | -- | 398.94 | C16H19ClN4O2S2 | NEUTRAL | Details |
| B139182 | CHEMBL4522702 | -- | -- | 359.38 | C18H14FNO4S | ACID | Details |
| B139183 | CHEMBL4522773 | -- | BAY-827 | 385.86 | C22H16ClN5 | NEUTRAL | Details |
| B139184 | CHEMBL4522781 | -- | -- | 318.85 | C12H15ClN2O2S2 | NEUTRAL | Details |
| B139185 | CHEMBL4522930 | -- | -- | 432.52 | C17H22F2N4O3S2 | NEUTRAL | Details |
| B139186 | CHEMBL452299 | Small molecule | -- | 444.49 | C26H24N2O5 | ACID | Details |
| B139187 | CHEMBL4523025 | -- | -- | 400.79 | C17H16ClF3N4O2 | BASE | Details |
| B139188 | CHEMBL452310 | Small molecule | -- | 596.51 | C31H31Cl2N3O5 | ACID | Details |
| B139189 | CHEMBL452337 | Small molecule | -- | 246.27 | C15H10N4 | NEUTRAL | Details |
| B139190 | CHEMBL4524066 | Protein | LIRAGLUTIDE | 3753.28 | C172H267N43O51 | None | Details |
| B139191 | CHEMBL452409 | Small molecule | -- | 254.32 | C13H10N4S | NEUTRAL | Details |
| B139192 | CHEMBL4524150 | -- | -- | 274.32 | C18H14N2O | BASE | Details |
| B139193 | CHEMBL4524300 | -- | -- | 976.11 | C46H65N13O11 | ZWITTERION | Details |
| B139194 | CHEMBL4524341 | -- | -- | 543.66 | C30H41NO8 | NEUTRAL | Details |
| B139195 | CHEMBL45245 | Small molecule | -- | 195.22 | C13H9NO | NEUTRAL | Details |
| B139196 | CHEMBL4524517 | -- | -- | 400.87 | C20H21ClN4O3 | NEUTRAL | Details |
| B139197 | CHEMBL4524552 | -- | -- | 362.43 | C21H22N4O2 | BASE | Details |
| B139198 | CHEMBL4524570 | -- | -- | 960.11 | C46H65N13O10 | ZWITTERION | Details |
| B139199 | CHEMBL4524586 | -- | -- | 223.28 | C14H13N3 | BASE | Details |
| B139200 | CHEMBL4524620 | -- | -- | 181.63 | C8H8ClN3 | NEUTRAL | Details |