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 | |
|---|---|---|---|---|---|---|---|
| B139201 | CHEMBL4524671 | -- | -- | 446.35 | C19H21Cl2NO5S | NEUTRAL | Details |
| B139202 | CHEMBL4524949 | -- | -- | 253.31 | C15H15N3O | BASE | Details |
| B139203 | CHEMBL452509 | Small molecule | -- | 642.77 | C29H37F3N4O5S2 | NEUTRAL | Details |
| B139204 | CHEMBL4525371 | -- | -- | 196.25 | C9H9FN2S | BASE | Details |
| B139205 | CHEMBL4525440 | -- | -- | 196.64 | C9H9ClN2O | BASE | Details |
| B139206 | CHEMBL4525480 | -- | -- | 359.45 | C21H17N3OS | BASE | Details |
| B139207 | CHEMBL4525646 | -- | -- | 314.78 | C16H15ClN4O | NEUTRAL | Details |
| B139208 | CHEMBL4525828 | -- | -- | 334.43 | C14H14N4O2S2 | NEUTRAL | Details |
| B139209 | CHEMBL4525978 | -- | -- | 390.5 | C21H26O5S | NEUTRAL | Details |
| B139210 | CHEMBL4525982 | -- | -- | 1603.92 | C80H106N20O14S | None | Details |
| B139211 | CHEMBL4526341 | -- | A-108 | 504.47 | C27H19F3N4O3 | NEUTRAL | Details |
| B139212 | CHEMBL4526351 | -- | BAY-309 | 519.5 | C24H18F5N5OS | NEUTRAL | Details |
| B139213 | CHEMBL4526406 | -- | -- | 355.52 | C23H33NO2 | NEUTRAL | Details |
| B139214 | CHEMBL4526434 | -- | -- | 206.28 | C13H18O2 | NEUTRAL | Details |
| B139215 | CHEMBL4526524 | -- | -- | 329.4 | C19H23NO4 | NEUTRAL | Details |
| B139216 | CHEMBL4526762 | -- | -- | 409.88 | C21H20ClN5O2 | NEUTRAL | Details |
| B139217 | CHEMBL452683 | Small molecule | NEROL | 154.25 | C10H18O | NEUTRAL | Details |
| B139218 | CHEMBL4526964 | -- | -- | 386.52 | C15H18N2O4S3 | NEUTRAL | Details |
| B139219 | CHEMBL4527127 | -- | -- | 176.22 | C10H12N2O | BASE | Details |
| B139220 | CHEMBL4527188 | -- | -- | 469.34 | C22H21BrN4O3 | NEUTRAL | Details |
| B139221 | CHEMBL4527193 | -- | -- | 279.34 | C17H17N3O | NEUTRAL | Details |
| B139222 | CHEMBL4527340 | -- | -- | 437.97 | C21H25ClFN3O2S | BASE | Details |
| B139223 | CHEMBL4527351 | -- | -- | 226.28 | C13H14N4 | BASE | Details |
| B139224 | CHEMBL4527484 | -- | -- | 888.04 | C43H61N13O8 | BASE | Details |
| B139225 | CHEMBL452750 | Protein | -- | 460.44 | C18H28N4O10 | ACID | Details |
| B139226 | CHEMBL4527575 | -- | -- | 179.19 | C10H10FNO | NEUTRAL | Details |
| B139227 | CHEMBL4527674 | -- | -- | 403.91 | C24H22ClN3O | NEUTRAL | Details |
| B139228 | CHEMBL4527814 | -- | -- | 276.73 | C13H13ClN4O | NEUTRAL | Details |
| B139229 | CHEMBL4527825 | -- | -- | 195.65 | C9H10ClN3 | BASE | Details |
| B139230 | CHEMBL4527893 | -- | -- | 514.58 | C29H30N4O5 | ACID | Details |
| B139231 | CHEMBL4527978 | -- | -- | 306.37 | C18H18N4O | NEUTRAL | Details |
| B139232 | CHEMBL45281 | Small molecule | -- | 434.2 | C18H20Cl4N4 | NEUTRAL | Details |
| B139233 | CHEMBL4528116 | -- | -- | 490.91 | C24H22ClF3N4O2 | BASE | Details |
| B139234 | CHEMBL4528326 | -- | -- | 320.35 | C18H16N4O2 | NEUTRAL | Details |
| B139235 | CHEMBL4528449 | -- | -- | 355.46 | C20H19NO3S | ACID | Details |
| B139236 | CHEMBL4528475 | -- | -- | 444.49 | C25H24N4O4 | NEUTRAL | Details |
| B139237 | CHEMBL4528500 | -- | -- | 421.57 | C19H19NO4S3 | NEUTRAL | Details |
| B139238 | CHEMBL452861 | Small molecule | (-)-PROPANOLOL | 259.35 | C16H21NO2 | BASE | Details |
| B139239 | CHEMBL452864 | Small molecule | -- | 378.61 | C19H30N4S2 | BASE | Details |
| B139240 | CHEMBL4528675 | -- | -- | 535.55 | C27H22FN3O6S | NEUTRAL | Details |
| B139241 | CHEMBL4528723 | -- | -- | 429.48 | C25H23N3O4 | NEUTRAL | Details |
| B139242 | CHEMBL4528726 | -- | -- | 424.43 | C23H21FN2O5 | ACID | Details |
| B139243 | CHEMBL4528742 | -- | -- | 419.83 | C18H21ClF3N3O3 | BASE | Details |
| B139244 | CHEMBL4528757 | -- | -- | 474.6 | C29H34N2O4 | ZWITTERION | Details |
| B139245 | CHEMBL4528848 | -- | -- | 409.46 | C24H24FNO4 | ACID | Details |
| B139246 | CHEMBL4528871 | -- | -- | 495.45 | C19H21F4N3O6S | BASE | Details |
| B139247 | CHEMBL4528875 | -- | -- | 147.18 | C8H9N3 | BASE | Details |
| B139248 | CHEMBL4528947 | -- | -- | 320.35 | C18H16N4O2 | BASE | Details |
| B139249 | CHEMBL4529051 | -- | -- | 854.03 | C40H63N13O8 | BASE | Details |
| B139250 | CHEMBL4529121 | -- | -- | 363.34 | C18H16F3N3O2 | ACID | Details |
| B139251 | CHEMBL452913 | Small molecule | -- | 603.23 | C34H39ClN4O2S | ZWITTERION | Details |
| B139252 | CHEMBL4529150 | -- | -- | 499.08 | C21H23ClN2O4S3 | NEUTRAL | Details |
| B139253 | CHEMBL4529158 | -- | -- | 343.39 | C20H17N5O | NEUTRAL | Details |
| B139254 | CHEMBL4529234 | -- | -- | 390.4 | C20H18N6O3 | NEUTRAL | Details |
| B139255 | CHEMBL4529259 | -- | -- | 387.85 | C14H18ClN5O4S | NEUTRAL | Details |
| B139256 | CHEMBL4529391 | -- | -- | 389.46 | C23H23N3O3 | NEUTRAL | Details |
| B139257 | CHEMBL4529401 | -- | -- | 311.35 | C16H17N5O2 | NEUTRAL | Details |
| B139258 | CHEMBL452954 | Small molecule | -- | 240.23 | C15H9FO2 | NEUTRAL | Details |
| B139259 | CHEMBL4529545 | -- | -- | 329.79 | C17H16ClN3O2 | NEUTRAL | Details |
| B139260 | CHEMBL4529552 | -- | -- | 297.28 | C14H14F3N3O | BASE | Details |
| B139261 | CHEMBL4529735 | -- | -- | 601.63 | C34H30F3N3O4 | ACID | Details |
| B139262 | CHEMBL4529787 | -- | -- | 252.35 | C15H24O3 | ACID | Details |
| B139263 | CHEMBL4529804 | -- | -- | 331.39 | C19H22FNO3 | NEUTRAL | Details |
| B139264 | CHEMBL453 | Small molecule | SULFISOXAZOLE | 267.31 | C11H13N3O3S | ACID | Details |
| B139265 | CHEMBL4530053 | -- | -- | 565.59 | C31H30F3N3O4 | ACID | Details |
| B139266 | CHEMBL453038 | Small molecule | NORARMEPAVINE | 299.37 | C18H21NO3 | BASE | Details |
| B139267 | CHEMBL4530396 | -- | -- | 169.21 | C5H7N5S | BASE | Details |
| B139268 | CHEMBL4530401 | -- | MRL-SYKi-NC | 505.56 | C25H26F3N3O3S | ACID | Details |
| B139269 | CHEMBL4530491 | -- | -- | 505.0 | C21H25ClN8O3S | NEUTRAL | Details |
| B139270 | CHEMBL4530510 | -- | -- | 355.48 | C22H29NO3 | NEUTRAL | Details |
| B139271 | CHEMBL4530737 | -- | -- | 301.35 | C19H15N3O | BASE | Details |
| B139272 | CHEMBL4530740 | -- | BI 1950 | 646.51 | C32H26Cl2FN7O3 | NEUTRAL | Details |
| B139273 | CHEMBL4530834 | -- | -- | 203.31 | C12H13NS | BASE | Details |
| B139274 | CHEMBL4530845 | -- | -- | 431.84 | C19H21ClF3N3O3 | BASE | Details |
| B139275 | CHEMBL453098 | Small molecule | -- | 408.89 | C23H21ClN2O3 | NEUTRAL | Details |
| B139276 | CHEMBL4531005 | -- | -- | 352.23 | C15H15Cl2N5O | NEUTRAL | Details |
| B139277 | CHEMBL4531065 | -- | -- | 440.33 | C15H20Cl2FN5O3S | BASE | Details |
| B139278 | CHEMBL4531078 | -- | -- | 317.36 | C18H20FNO3 | NEUTRAL | Details |
| B139279 | CHEMBL4531220 | -- | BI 3047 | 515.53 | C23H25F4N3O4S | NEUTRAL | Details |
| B139280 | CHEMBL4531248 | -- | -- | 373.88 | C16H21ClFN3O2S | BASE | Details |
| B139281 | CHEMBL4531256 | -- | -- | 368.82 | C20H17ClN2O3 | NEUTRAL | Details |
| B139282 | CHEMBL4531775 | -- | SR-321 | 512.58 | C28H31F3N4O2 | NEUTRAL | Details |
| B139283 | CHEMBL453187 | Small molecule | -- | 220.22 | C9H16O6 | NEUTRAL | Details |
| B139284 | CHEMBL4531909 | -- | -- | 329.4 | C21H19N3O | BASE | Details |
| B139285 | CHEMBL4531918 | -- | -- | 516.6 | C29H32N4O5 | ACID | Details |
| B139286 | CHEMBL4532035 | -- | -- | 526.42 | C28H25Cl2NO5 | NEUTRAL | Details |
| B139287 | CHEMBL4532075 | -- | -- | 966.15 | C46H71N13O10 | ZWITTERION | Details |
| B139288 | CHEMBL4532203 | -- | -- | 360.37 | C17H13FN2O4S | ACID | Details |
| B139289 | CHEMBL4532207 | -- | -- | 563.51 | C30H21F4N3O4 | ACID | Details |
| B139290 | CHEMBL4532583 | -- | -- | 528.45 | C26H30BrN3O4 | NEUTRAL | Details |
| B139291 | CHEMBL4532602 | -- | -- | 382.87 | C18H19ClO5S | NEUTRAL | Details |
| B139292 | CHEMBL4532632 | -- | -- | 527.47 | C28H21F4NO5 | ACID | Details |
| B139293 | CHEMBL4532662 | -- | -- | 528.97 | C29H22ClFN4O3 | ACID | Details |
| B139294 | CHEMBL4533018 | -- | -- | 404.94 | C21H29ClN4O2 | BASE | Details |
| B139295 | CHEMBL4533138 | -- | -- | 553.58 | C30H30F3N3O4 | ACID | Details |
| B139296 | CHEMBL4533202 | -- | -- | 402.7 | C14H13BrClN3O2S | ACID | Details |
| B139297 | CHEMBL4533283 | -- | -- | 302.74 | C16H12ClFN2O | BASE | Details |
| B139298 | CHEMBL4533353 | -- | -- | 476.84 | C15H20Cl3N3O4S2 | ACID | Details |
| B139299 | CHEMBL4533479 | -- | A-1806262 | 558.68 | C33H38N2O6 | ACID | Details |
| B139300 | CHEMBL4533613 | -- | -- | 3415.86 | C158H236N40O45 | None | Details |