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 | |
|---|---|---|---|---|---|---|---|
| B138201 | CHEMBL4441299 | -- | -- | 298.75 | C13H16ClFN4O | BASE | Details |
| B138202 | CHEMBL4441300 | -- | -- | 198.22 | C12H10N2O | BASE | Details |
| B138203 | CHEMBL4441323 | -- | -- | 295.75 | C12H10ClN3O2S | ACID | Details |
| B138204 | CHEMBL4441366 | -- | -- | 484.35 | C22H22BrN5O3 | NEUTRAL | Details |
| B138205 | CHEMBL4441398 | -- | -- | 320.27 | C15H11F3N4O | BASE | Details |
| B138206 | CHEMBL4441515 | -- | -- | 387.44 | C22H21N5O2 | NEUTRAL | Details |
| B138207 | CHEMBL4441683 | -- | -- | 444.7 | C29H48O3 | NEUTRAL | Details |
| B138208 | CHEMBL4441690 | -- | -- | 367.41 | C22H17N5O | NEUTRAL | Details |
| B138209 | CHEMBL4441733 | -- | -- | 432.45 | C22H23F3N4O2 | BASE | Details |
| B138210 | CHEMBL4441735 | -- | -- | 400.98 | C16H17ClN2O2S3 | NEUTRAL | Details |
| B138211 | CHEMBL444175 | Small molecule | -- | 575.71 | C37H37NO5 | ACID | Details |
| B138212 | CHEMBL4441750 | -- | -- | 460.66 | C28H44O5 | NEUTRAL | Details |
| B138213 | CHEMBL4441755 | -- | -- | 459.46 | C25H24F3NO4 | ACID | Details |
| B138214 | CHEMBL4441781 | -- | -- | 385.82 | C21H17ClFNO3 | ACID | Details |
| B138215 | CHEMBL4441811 | -- | -- | 528.73 | C32H48O6 | NEUTRAL | Details |
| B138216 | CHEMBL4441822 | -- | -- | 334.37 | C18H22O6 | NEUTRAL | Details |
| B138217 | CHEMBL4441830 | -- | -- | 670.64 | C32H26F4N4O6S | ACID | Details |
| B138218 | CHEMBL4441900 | -- | -- | 348.71 | C14H12ClF3N2O3 | ZWITTERION | Details |
| B138219 | CHEMBL4441958 | -- | -- | 327.42 | C20H25NO3 | NEUTRAL | Details |
| B138220 | CHEMBL4442092 | -- | -- | 350.42 | C21H22N2O3 | NEUTRAL | Details |
| B138221 | CHEMBL4442093 | -- | -- | 343.42 | C20H25NO4 | NEUTRAL | Details |
| B138222 | CHEMBL4442097 | -- | -- | 364.23 | C17H15Cl2N3O2 | ACID | Details |
| B138223 | CHEMBL444210 | Small molecule | -- | 591.66 | C33H35F2N3O5 | ACID | Details |
| B138224 | CHEMBL4442100 | -- | -- | 490.36 | C20H16F6N4O4 | BASE | Details |
| B138225 | CHEMBL4442116 | -- | -- | 349.39 | C19H19N5O2 | NEUTRAL | Details |
| B138226 | CHEMBL4442153 | -- | -- | 402.42 | C15H13F3N4O2S2 | NEUTRAL | Details |
| B138227 | CHEMBL4442195 | -- | -- | 351.19 | C20H19BFNO3 | None | Details |
| B138228 | CHEMBL4442214 | -- | -- | 435.81 | C18H18ClF4N3O3 | BASE | Details |
| B138229 | CHEMBL444227 | Small molecule | -- | 740.05 | C38H45BClF2N3O7 | None | Details |
| B138230 | CHEMBL4442352 | -- | -- | 358.4 | C22H18N2O3 | ACID | Details |
| B138231 | CHEMBL4442391 | -- | -- | 524.42 | C21H22F6N4O5 | NEUTRAL | Details |
| B138232 | CHEMBL4442494 | -- | -- | 492.46 | C17H15F3N4O6S2 | ACID | Details |
| B138233 | CHEMBL4442520 | -- | -- | 429.79 | C16H15ClF3N7O2 | ZWITTERION | Details |
| B138234 | CHEMBL4442524 | -- | -- | 395.39 | C18H22FN3O6 | NEUTRAL | Details |
| B138235 | CHEMBL444255 | Small molecule | -- | 582.82 | C31H46N6O3S | BASE | Details |
| B138236 | CHEMBL4442564 | -- | -- | 440.95 | C21H25ClO6S | NEUTRAL | Details |
| B138237 | CHEMBL4442585 | -- | -- | 425.8 | C18H15ClF3N5O2 | BASE | Details |
| B138238 | CHEMBL4442702 | -- | -- | 411.89 | C22H22ClN3O3 | NEUTRAL | Details |
| B138239 | CHEMBL4442739 | -- | -- | 368.89 | C11H13ClN2O4S3 | NEUTRAL | Details |
| B138240 | CHEMBL4442775 | -- | -- | 424.52 | C24H24O5S | NEUTRAL | Details |
| B138241 | CHEMBL4442783 | -- | -- | 506.57 | C25H33F3N6O2 | BASE | Details |
| B138242 | CHEMBL4442830 | -- | -- | 504.71 | C30H48O6 | NEUTRAL | Details |
| B138243 | CHEMBL4442903 | -- | -- | 487.55 | C26H31F2N3O4 | NEUTRAL | Details |
| B138244 | CHEMBL4443192 | -- | -- | 482.59 | C23H25F3N2O2S2 | ACID | Details |
| B138245 | CHEMBL4443268 | -- | -- | 376.84 | C14H18ClFN4O3S | BASE | Details |
| B138246 | CHEMBL4443386 | -- | -- | 419.81 | C18H18ClF4N3O2 | BASE | Details |
| B138247 | CHEMBL4443400 | -- | -- | 358.25 | C14H13Cl2N3O2S | ACID | Details |
| B138248 | CHEMBL4443423 | -- | -- | 414.77 | C17H14ClF3N4O3 | BASE | Details |
| B138249 | CHEMBL4443452 | -- | -- | 401.38 | C22H18F3NO3 | ACID | Details |
| B138250 | CHEMBL4443456 | -- | -- | 383.84 | C19H18ClN5O2 | NEUTRAL | Details |
| B138251 | CHEMBL4443549 | -- | -- | 393.96 | C19H20ClNO2S2 | NEUTRAL | Details |
| B138252 | CHEMBL4443558 | -- | -- | 303.41 | C15H13NO2S2 | NEUTRAL | Details |
| B138253 | CHEMBL4443559 | -- | -- | 445.87 | C20H23ClF3N3O3 | BASE | Details |
| B138254 | CHEMBL4443588 | -- | -- | 530.63 | C30H34N4O5 | ACID | Details |
| B138255 | CHEMBL4443691 | -- | -- | 507.7 | C29H37N3O3S | ACID | Details |
| B138256 | CHEMBL4443720 | -- | -- | 615.65 | C35H32F3N3O4 | ACID | Details |
| B138257 | CHEMBL444373 | Small molecule | -- | 331.32 | C17H17NO6 | ACID | Details |
| B138258 | CHEMBL4443828 | -- | -- | 616.66 | C30H31F3N4O5S | NEUTRAL | Details |
| B138259 | CHEMBL4443839 | -- | -- | 322.79 | C16H19ClN2O3 | NEUTRAL | Details |
| B138260 | CHEMBL4443842 | -- | -- | 420.3 | C19H19Cl2N5O2 | NEUTRAL | Details |
| B138261 | CHEMBL4443909 | -- | -- | 333.82 | C18H20ClNO3 | NEUTRAL | Details |
| B138262 | CHEMBL4443931 | -- | -- | 562.62 | C34H30N2O6 | ACID | Details |
| B138263 | CHEMBL4444045 | -- | -- | 339.48 | C22H29NO2 | NEUTRAL | Details |
| B138264 | CHEMBL4444163 | -- | -- | 362.48 | C16H18N4O2S2 | NEUTRAL | Details |
| B138265 | CHEMBL4444320 | -- | -- | 469.54 | C28H27N3O4 | NEUTRAL | Details |
| B138266 | CHEMBL4444322 | -- | -- | 449.46 | C24H23N3O6 | ACID | Details |
| B138267 | CHEMBL444433 | Small molecule | -- | 378.21 | C17H13Cl2N3O3 | NEUTRAL | Details |
| B138268 | CHEMBL4444343 | -- | -- | 397.6 | C26H39NO2 | NEUTRAL | Details |
| B138269 | CHEMBL4444413 | -- | -- | 469.54 | C28H27N3O4 | NEUTRAL | Details |
| B138270 | CHEMBL4444430 | -- | -- | 364.45 | C22H24N2O3 | NEUTRAL | Details |
| B138271 | CHEMBL4444484 | -- | -- | 486.83 | C24H14ClF3N2O4 | ACID | Details |
| B138272 | CHEMBL444449 | Small molecule | -- | 350.37 | C21H18O5 | NEUTRAL | Details |
| B138273 | CHEMBL4444610 | -- | -- | 483.45 | C25H20F3N3O4 | ACID | Details |
| B138274 | CHEMBL4444623 | -- | -- | 385.86 | C19H20ClN5O2 | NEUTRAL | Details |
| B138275 | CHEMBL4444760 | -- | -- | 557.76 | C32H39N5O2S | ZWITTERION | Details |
| B138276 | CHEMBL4444788 | -- | -- | 439.89 | C20H17ClF3N3OS | BASE | Details |
| B138277 | CHEMBL4444826 | -- | -- | 444.99 | C17H17ClN2O4S3 | NEUTRAL | Details |
| B138278 | CHEMBL4444888 | -- | -- | 540.62 | C30H32N6O4 | ACID | Details |
| B138279 | CHEMBL444497 | Small molecule | -- | 594.78 | C37H43FN4O2 | BASE | Details |
| B138280 | CHEMBL4445012 | -- | -- | 540.73 | C27H28N2O4S3 | ACID | Details |
| B138281 | CHEMBL4445062 | -- | -- | 361.32 | C18H14F3N3O2 | BASE | Details |
| B138282 | CHEMBL4445084 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138283 | CHEMBL4445114 | -- | -- | 461.37 | C21H18Cl2N4O2S | NEUTRAL | Details |
| B138284 | CHEMBL444523 | Small molecule | -- | 908.95 | C38H52O21S2 | NEUTRAL | Details |
| B138285 | CHEMBL4445245 | -- | -- | 3455.93 | C161H240N40O45 | None | Details |
| B138286 | CHEMBL4445246 | -- | -- | 254.29 | C14H14N4O | BASE | Details |
| B138287 | CHEMBL4445335 | -- | -- | 595.65 | C33H31F2N7O2 | NEUTRAL | Details |
| B138288 | CHEMBL444539 | Small molecule | -- | 212.25 | C13H12N2O | NEUTRAL | Details |
| B138289 | CHEMBL4445468 | -- | -- | 387.44 | C23H21N3O3 | NEUTRAL | Details |
| B138290 | CHEMBL4445519 | -- | -- | 423.45 | C21H18F3NO3S | ACID | Details |
| B138291 | CHEMBL4445524 | -- | -- | 376.24 | C19H15Cl2NO3 | ACID | Details |
| B138292 | CHEMBL4445580 | -- | -- | 347.85 | C17H22ClN5O | NEUTRAL | Details |
| B138293 | CHEMBL4445590 | -- | -- | 409.42 | C22H20FN3O4 | NEUTRAL | Details |
| B138294 | CHEMBL4445670 | -- | BAY-885 | 515.54 | C25H28F3N7O2 | NEUTRAL | Details |
| B138295 | CHEMBL4445722 | -- | -- | 482.36 | C26H21Cl2NO4 | ACID | Details |
| B138296 | CHEMBL4445737 | -- | -- | 472.46 | C25H23F3N2O4 | ACID | Details |
| B138297 | CHEMBL4445778 | -- | -- | 541.69 | C29H36FN3O4S | ACID | Details |
| B138298 | CHEMBL4445891 | -- | -- | 229.28 | C13H15N3O | BASE | Details |
| B138299 | CHEMBL4445903 | -- | -- | 305.28 | C13H17F2NO5 | NEUTRAL | Details |
| B138300 | CHEMBL4445924 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |