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 | |
|---|---|---|---|---|---|---|---|
| B141201 | CHEMBL4761898 | -- | -- | 6059.03 | C275H436N66O83S2 | None | Details |
| B141202 | CHEMBL476197 | Small molecule | -- | 475.42 | C24H20F3NO6 | NEUTRAL | Details |
| B141203 | CHEMBL4761978 | -- | -- | 418.3 | C18H20BrN5O2 | NEUTRAL | Details |
| B141204 | CHEMBL4761986 | -- | -- | 1225.53 | C66H94F2N10O10 | None | Details |
| B141205 | CHEMBL4761989 | -- | -- | 380.49 | C22H28N4O2 | BASE | Details |
| B141206 | CHEMBL4761992 | -- | -- | 398.5 | C24H30O5 | NEUTRAL | Details |
| B141207 | CHEMBL4762005 | -- | -- | 506.97 | C22H23ClN4O6S | NEUTRAL | Details |
| B141208 | CHEMBL4762018 | -- | -- | 573.57 | C29H30F3N3O6 | NEUTRAL | Details |
| B141209 | CHEMBL4762023 | -- | -- | 436.92 | C24H22ClFN4O | NEUTRAL | Details |
| B141210 | CHEMBL4762030 | -- | -- | 397.33 | C18H15F4N3O3 | NEUTRAL | Details |
| B141211 | CHEMBL4762061 | -- | -- | 4340.93 | C188H284N54O57S4 | None | Details |
| B141212 | CHEMBL4762088 | -- | -- | 443.93 | C23H26ClN3O4 | NEUTRAL | Details |
| B141213 | CHEMBL4762110 | -- | -- | 389.41 | C22H19N3O4 | ACID | Details |
| B141214 | CHEMBL476213 | Small molecule | -- | 280.28 | C13H16N2O5 | ACID | Details |
| B141215 | CHEMBL4762142 | -- | -- | 417.31 | C19H21BrN4O2 | NEUTRAL | Details |
| B141216 | CHEMBL4762220 | -- | -- | 4220.67 | C185H280N46O63S2 | None | Details |
| B141217 | CHEMBL4762222 | -- | -- | 349.19 | C14H13BrN4O2 | NEUTRAL | Details |
| B141218 | CHEMBL4762235 | -- | -- | 337.38 | C18H19N5O2 | NEUTRAL | Details |
| B141219 | CHEMBL4762401 | -- | -- | 311.37 | C16H13N3O2S | NEUTRAL | Details |
| B141220 | CHEMBL4762437 | -- | -- | 372.35 | C16H19F3N4O3 | NEUTRAL | Details |
| B141221 | CHEMBL4762472 | -- | -- | 531.61 | C29H33N5O5 | ACID | Details |
| B141222 | CHEMBL4762480 | -- | -- | 467.27 | C17H18IN5O3 | NEUTRAL | Details |
| B141223 | CHEMBL4762497 | -- | -- | 486.55 | C23H26N4O6S | NEUTRAL | Details |
| B141224 | CHEMBL4762763 | -- | -- | 312.39 | C17H16N2O2S | ACID | Details |
| B141225 | CHEMBL4762802 | -- | -- | 468.5 | C26H26F2N2O4 | NEUTRAL | Details |
| B141226 | CHEMBL476292 | Small molecule | -- | 254.28 | C16H14O3 | NEUTRAL | Details |
| B141227 | CHEMBL4762983 | -- | -- | 461.52 | C26H27N3O5 | ACID | Details |
| B141228 | CHEMBL476302 | Small molecule | -- | 532.42 | C30H23Cl2NO4 | ACID | Details |
| B141229 | CHEMBL4763095 | -- | -- | 429.9 | C22H24ClN3O4 | NEUTRAL | Details |
| B141230 | CHEMBL4763132 | -- | -- | 350.4 | C15H11FN2O3S2 | ACID | Details |
| B141231 | CHEMBL4763268 | -- | -- | 418.93 | C24H23ClN4O | NEUTRAL | Details |
| B141232 | CHEMBL4763300 | -- | -- | 242.66 | C10H11ClN2O3 | NEUTRAL | Details |
| B141233 | CHEMBL4763313 | -- | -- | 436.92 | C24H22ClFN4O | NEUTRAL | Details |
| B141234 | CHEMBL4763344 | -- | -- | 469.97 | C25H28ClN3O4 | NEUTRAL | Details |
| B141235 | CHEMBL4763345 | -- | -- | 331.42 | C15H13N3O2S2 | ACID | Details |
| B141236 | CHEMBL4763392 | -- | -- | 358.47 | C16H10N2O2S3 | ACID | Details |
| B141237 | CHEMBL4763395 | -- | -- | 514.58 | C26H44O6P2 | NEUTRAL | Details |
| B141238 | CHEMBL4763516 | -- | -- | 415.88 | C21H22ClN3O4 | NEUTRAL | Details |
| B141239 | CHEMBL4763562 | -- | -- | 373.42 | C20H19N7O | NEUTRAL | Details |
| B141240 | CHEMBL4763593 | -- | -- | 491.95 | C24H27ClFN3O5 | NEUTRAL | Details |
| B141241 | CHEMBL4763612 | -- | -- | 576.48 | C27H24Cl2FN3O4S | ACID | Details |
| B141242 | CHEMBL4763673 | -- | -- | 375.38 | C19H19F2N3O3 | NEUTRAL | Details |
| B141243 | CHEMBL4763760 | -- | -- | 461.52 | C26H27N3O5 | ACID | Details |
| B141244 | CHEMBL4763818 | -- | -- | 466.52 | C20H26N4O7S | NEUTRAL | Details |
| B141245 | CHEMBL4763824 | -- | -- | 379.34 | C18H16F3N3O3 | NEUTRAL | Details |
| B141246 | CHEMBL4763830 | -- | -- | 587.57 | C30H29F4N3O5 | ACID | Details |
| B141247 | CHEMBL4763865 | -- | -- | 532.58 | C24H28N4O8S | NEUTRAL | Details |
| B141248 | CHEMBL4763935 | -- | -- | 538.02 | C29H29ClFN3O4 | ACID | Details |
| B141249 | CHEMBL4764071 | -- | -- | 389.42 | C20H19N7O2 | NEUTRAL | Details |
| B141250 | CHEMBL4764095 | -- | -- | 403.44 | C23H21N3O4 | ACID | Details |
| B141251 | CHEMBL4764106 | -- | -- | 420.43 | C22H20N4O5 | ACID | Details |
| B141252 | CHEMBL4764202 | -- | -- | 469.49 | C25H25F2N3O4 | NEUTRAL | Details |
| B141253 | CHEMBL4764227 | -- | -- | 448.43 | C20H34O7P2 | NEUTRAL | Details |
| B141254 | CHEMBL4764287 | -- | -- | 6189.17 | C281H446N66O86S2 | None | Details |
| B141255 | CHEMBL4764418 | -- | -- | 432.96 | C25H25ClN4O | NEUTRAL | Details |
| B141256 | CHEMBL4764442 | -- | -- | 434.94 | C26H24ClFN2O | NEUTRAL | Details |
| B141257 | CHEMBL4764454 | -- | -- | 472.59 | C29H32N2O4 | ACID | Details |
| B141258 | CHEMBL4764460 | -- | -- | 471.65 | C26H41N5O3 | BASE | Details |
| B141259 | CHEMBL4764480 | -- | -- | 467.55 | C20H29N5O6S | BASE | Details |
| B141260 | CHEMBL4764485 | -- | -- | 479.55 | C27H30FN3O4 | ACID | Details |
| B141261 | CHEMBL4764500 | -- | -- | 5681.44 | C263H389N55O81S2 | None | Details |
| B141262 | CHEMBL4764728 | -- | -- | 4276.95 | C197H300N44O58S2 | None | Details |
| B141263 | CHEMBL4764757 | -- | -- | 616.45 | C24H43IO6P2 | None | Details |
| B141264 | CHEMBL4765025 | -- | -- | 348.79 | C17H17ClN2O4 | ACID | Details |
| B141265 | CHEMBL4765036 | -- | -- | 400.43 | C21H24N2O6 | NEUTRAL | Details |
| B141266 | CHEMBL476513 | Small molecule | -- | 314.44 | C16H14N2OS2 | NEUTRAL | Details |
| B141267 | CHEMBL4765137 | -- | -- | 332.31 | C17H16O7 | NEUTRAL | Details |
| B141268 | CHEMBL4765166 | -- | -- | 5666.43 | C263H388N54O81S2 | None | Details |
| B141269 | CHEMBL4765201 | -- | -- | 472.87 | C22H23ClF2O7 | NEUTRAL | Details |
| B141270 | CHEMBL476598 | Small molecule | -- | 238.29 | C16H14O2 | NEUTRAL | Details |
| B141271 | CHEMBL476668 | Small molecule | -- | 328.41 | C19H24N2O3 | NEUTRAL | Details |
| B141272 | CHEMBL476719 | Small molecule | -- | 423.47 | C24H25NO6 | ACID | Details |
| B141273 | CHEMBL476830 | Small molecule | -- | 294.31 | C14H18N2O5 | ACID | Details |
| B141274 | CHEMBL476831 | Small molecule | -- | 344.37 | C18H20N2O5 | ACID | Details |
| B141275 | CHEMBL476896 | Small molecule | -- | 497.59 | C34H27NO3 | ACID | Details |
| B141276 | CHEMBL476897 | Small molecule | -- | 497.59 | C34H27NO3 | ACID | Details |
| B141277 | CHEMBL476936 | Small molecule | 3,6 DICHLOROMETHOXYBENZOIC ACID | 221.04 | C8H6Cl2O3 | ACID | Details |
| B141278 | CHEMBL477047 | Small molecule | -- | 418.48 | C22H18N4O3S | NEUTRAL | Details |
| B141279 | CHEMBL477094 | Small molecule | -- | 412.49 | C26H24N2O3 | ACID | Details |
| B141280 | CHEMBL477095 | Small molecule | -- | 414.51 | C26H26N2O3 | ACID | Details |
| B141281 | CHEMBL477119 | Small molecule | -- | 452.6 | C27H36N2O4 | ACID | Details |
| B141282 | CHEMBL477139 | Small molecule | -- | 328.42 | C16H12N2O2S2 | NEUTRAL | Details |
| B141283 | CHEMBL477224 | Small molecule | -- | 407.51 | C24H29N3O3 | NEUTRAL | Details |
| B141284 | CHEMBL477298 | Small molecule | -- | 501.63 | C34H31NO3 | ACID | Details |
| B141285 | CHEMBL477312 | Small molecule | -- | 438.57 | C26H34N2O4 | ACID | Details |
| B141286 | CHEMBL477318 | Small molecule | -- | 425.53 | C28H27NO3 | ACID | Details |
| B141287 | CHEMBL477323 | Small molecule | -- | 415.49 | C25H25N3O3 | ACID | Details |
| B141288 | CHEMBL477382 | Small molecule | -- | 254.33 | C14H22O4 | ACID | Details |
| B141289 | CHEMBL477396 | Small molecule | -- | 321.43 | C19H23N5 | NEUTRAL | Details |
| B141290 | CHEMBL477417 | Small molecule | -- | 360.42 | C17H24N6O3 | ZWITTERION | Details |
| B141291 | CHEMBL4776051 | -- | -- | 500.0 | C26H30ClN3O5 | NEUTRAL | Details |
| B141292 | CHEMBL4776080 | -- | -- | 586.49 | C30H30Cl2FN3O4 | ACID | Details |
| B141293 | CHEMBL4776179 | -- | -- | 471.36 | C24H21Cl2FN4O | NEUTRAL | Details |
| B141294 | CHEMBL477627 | Small molecule | -- | 317.39 | C17H23N3O3 | ACID | Details |
| B141295 | CHEMBL4776281 | -- | -- | 384.87 | C23H17ClN4 | NEUTRAL | Details |
| B141296 | CHEMBL4776349 | -- | -- | 411.79 | C18H16ClF2N3O4 | NEUTRAL | Details |
| B141297 | CHEMBL4776398 | -- | -- | 389.41 | C22H19N3O4 | ACID | Details |
| B141298 | CHEMBL4776412 | -- | -- | 419.44 | C23H21N3O5 | ACID | Details |
| B141299 | CHEMBL477644 | Small molecule | -- | 425.41 | C23H20FNO6 | NEUTRAL | Details |
| B141300 | CHEMBL4776467 | -- | -- | 4594.24 | C210H319N45O66S2 | None | Details |