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 | |
|---|---|---|---|---|---|---|---|
| B000201 | CHEMBL107400 | Small molecule | SOBETIROME | 328.41 | C20H24O4 | ACID | Details |
| B000202 | CHEMBL107425 | Small molecule | -- | 601.84 | C34H39N3O3S2 | BASE | Details |
| B000203 | CHEMBL107439 | Small molecule | -- | 682.27 | C39H44ClN5O4 | BASE | Details |
| B000204 | CHEMBL107498 | Small molecule | DECANOIC ACID | 172.27 | C10H20O2 | ACID | Details |
| B000205 | CHEMBL1075 | Small molecule | MORICIZINE | 427.53 | C22H25N3O4S | NEUTRAL | Details |
| B000206 | CHEMBL107518 | Small molecule | -- | 214.22 | C13H10O3 | ACID | Details |
| B000207 | CHEMBL1075665 | Small molecule | -- | 511.36 | C26H20Cl2N2O5 | ACID | Details |
| B000208 | CHEMBL1075682 | Small molecule | -- | 599.63 | C31H28F3NO6S | ACID | Details |
| B000209 | CHEMBL1075683 | Small molecule | -- | 583.56 | C31H28F3NO7 | ACID | Details |
| B000210 | CHEMBL1075703 | Small molecule | -- | 587.57 | C29H24F3NO7S | ACID | Details |
| B000211 | CHEMBL1075704 | Small molecule | -- | 584.62 | C30H27F3N2O5S | ACID | Details |
| B000212 | CHEMBL1075705 | Small molecule | -- | 598.64 | C31H29F3N2O5S | ACID | Details |
| B000213 | CHEMBL1075706 | Small molecule | -- | 600.61 | C30H27F3N2O6S | ACID | Details |
| B000214 | CHEMBL1075723 | Small molecule | -- | 614.64 | C31H29F3N2O6S | ACID | Details |
| B000215 | CHEMBL1075724 | Small molecule | -- | 626.65 | C32H29F3N2O6S | ACID | Details |
| B000216 | CHEMBL1075725 | Small molecule | -- | 610.58 | C32H29F3N2O7 | ACID | Details |
| B000217 | CHEMBL1075732 | Small molecule | -- | 598.57 | C31H29F3N2O7 | ACID | Details |
| B000218 | CHEMBL1075772 | Small molecule | -- | 389.86 | C19H16ClNO4S | ACID | Details |
| B000219 | CHEMBL1075835 | Small molecule | -- | 601.6 | C29H26F3N3O6S | ACID | Details |
| B000220 | CHEMBL1075836 | Small molecule | -- | 602.59 | C28H25F3N4O6S | ACID | Details |
| B000221 | CHEMBL1075856 | Small molecule | -- | 383.47 | C21H21NO4S | ACID | Details |
| B000222 | CHEMBL1075893 | Small molecule | -- | 583.71 | C37H29NO4S | ACID | Details |
| B000223 | CHEMBL1075894 | Small molecule | -- | 585.53 | C29H26F3N3O7 | ACID | Details |
| B000224 | CHEMBL1075895 | Small molecule | -- | 586.52 | C28H25F3N4O7 | ACID | Details |
| B000225 | CHEMBL1076151 | Small molecule | -- | 605.63 | C33H26F3NO5S | ACID | Details |
| B000226 | CHEMBL1076162 | Small molecule | -- | 565.69 | C34H31NO5S | ACID | Details |
| B000227 | CHEMBL1076163 | Small molecule | -- | 592.72 | C35H32N2O5S | ACID | Details |
| B000228 | CHEMBL1076175 | Small molecule | -- | 591.61 | C32H24F3NO5S | ACID | Details |
| B000229 | CHEMBL1076211 | Small molecule | TOLPERISONE | 245.37 | C16H23NO | BASE | Details |
| B000230 | CHEMBL1076223 | Small molecule | -- | 607.8 | C37H45N5O3 | NEUTRAL | Details |
| B000231 | CHEMBL107624 | Small molecule | -- | 560.16 | C32H34ClN3O2S | BASE | Details |
| B000232 | CHEMBL1076347 | Small molecule | TRICLOCARBAN | 315.59 | C13H9Cl3N2O | NEUTRAL | Details |
| B000233 | CHEMBL107639 | Small molecule | -- | 236.27 | C13H16O4 | NEUTRAL | Details |
| B000234 | CHEMBL107645 | Small molecule | -- | 515.31 | C20H20Cl2N4O8 | ACID | Details |
| B000235 | CHEMBL107650 | Small molecule | -- | 468.29 | C21H19Cl2NO7 | ACID | Details |
| B000236 | CHEMBL1076522 | Small molecule | -- | 329.18 | C14H14Cl2N2O3 | ACID | Details |
| B000237 | CHEMBL1076544 | Small molecule | BOSCALID | 343.21 | C18H12Cl2N2O | NEUTRAL | Details |
| B000238 | CHEMBL1076555 | Small molecule | -- | 302.79 | C15H11ClN2OS | NEUTRAL | Details |
| B000239 | CHEMBL1076601 | Protein | -- | 1097.28 | C59H72N10O11 | None | Details |
| B000240 | CHEMBL1076602 | Protein | -- | 1101.2 | C54H67F3N12O10 | None | Details |
| B000241 | CHEMBL1076603 | Protein | -- | 1154.34 | C60H75N13O11 | None | Details |
| B000242 | CHEMBL1076604 | Protein | -- | 1158.25 | C55H70F3N15O10 | None | Details |
| B000243 | CHEMBL1076605 | Protein | -- | 1090.3 | C56H75N13O10 | None | Details |
| B000244 | CHEMBL1076612 | Protein | -- | 1182.39 | C62H79N13O11 | None | Details |
| B000245 | CHEMBL1076613 | Protein | -- | 1186.31 | C57H74F3N15O10 | None | Details |
| B000246 | CHEMBL1076629 | Protein | -- | 1120.24 | C54H72F3N13O10 | None | Details |
| B000247 | CHEMBL1076630 | Protein | -- | 1156.36 | C60H77N13O11 | None | Details |
| B000248 | CHEMBL1076631 | Protein | -- | 1160.27 | C55H72F3N15O10 | None | Details |
| B000249 | CHEMBL1076632 | Protein | -- | 1106.3 | C56H75N13O11 | None | Details |
| B000250 | CHEMBL1076633 | Protein | -- | 1110.21 | C51H70F3N15O10 | None | Details |
| B000251 | CHEMBL1076634 | Protein | -- | 1290.29 | C62H78IN13O10 | None | Details |
| B000252 | CHEMBL1076635 | Protein | -- | 1209.1 | C54H66F3IN12O9 | None | Details |
| B000253 | CHEMBL107664 | Small molecule | -- | 531.37 | C21H20Cl2N2O8S | ACID | Details |
| B000254 | CHEMBL1076646 | Protein | -- | 1248.21 | C59H72IN13O10 | None | Details |
| B000255 | CHEMBL1076647 | Protein | -- | 1252.12 | C54H67F3IN15O9 | None | Details |
| B000256 | CHEMBL1076648 | Protein | -- | 1205.18 | C59H71IN10O10 | None | Details |
| B000257 | CHEMBL1076649 | Protein | -- | 1262.24 | C60H74IN13O10 | None | Details |
| B000258 | CHEMBL1076650 | Protein | -- | 1266.15 | C55H69F3IN15O9 | None | Details |
| B000259 | CHEMBL1076651 | Protein | -- | 1294.21 | C57H73F3IN15O9 | None | Details |
| B000260 | CHEMBL1076661 | Protein | -- | 1094.21 | C51H70F3N15O9 | None | Details |
| B000261 | CHEMBL1076662 | Protein | -- | 1140.31 | C59H73N13O11 | None | Details |
| B000262 | CHEMBL1076663 | Protein | -- | 1144.23 | C54H68F3N15O10 | None | Details |
| B000263 | CHEMBL1076664 | Protein | -- | 1116.33 | C59H77N11O11 | None | Details |
| B000264 | CHEMBL1076688 | Small molecule | -- | 387.45 | C16H16F3N3OS2 | NEUTRAL | Details |
| B000265 | CHEMBL1076698 | Small molecule | -- | 371.38 | C16H16F3N3O2S | NEUTRAL | Details |
| B000266 | CHEMBL1076722 | Small molecule | -- | 417.88 | C18H16ClN5O3S | NEUTRAL | Details |
| B000267 | CHEMBL1076818 | Small molecule | NUZHENIDE | 686.66 | C31H42O17 | NEUTRAL | Details |
| B000268 | CHEMBL1076842 | Small molecule | -- | 248.24 | C9H16N2O6 | ACID | Details |
| B000269 | CHEMBL1076843 | Small molecule | EXCELSIDE B | 686.66 | C31H42O17 | NEUTRAL | Details |
| B000270 | CHEMBL107697 | Small molecule | -- | 576.16 | C32H34ClN3O3S | NEUTRAL | Details |
| B000271 | CHEMBL1077 | Small molecule | BROMFENAC | 334.17 | C15H12BrNO3 | ACID | Details |
| B000272 | CHEMBL1077231 | Small molecule | -- | 378.85 | C20H23ClO5 | NEUTRAL | Details |
| B000273 | CHEMBL1077284 | Small molecule | -- | 296.45 | C18H32O3 | ACID | Details |
| B000274 | CHEMBL1077286 | Small molecule | -- | 280.26 | C16H9FN2O2 | NEUTRAL | Details |
| B000275 | CHEMBL1077291 | Small molecule | -- | 295.27 | C16H10FN3O2 | NEUTRAL | Details |
| B000276 | CHEMBL1077318 | Small molecule | -- | 425.51 | C21H23N5O3S | BASE | Details |
| B000277 | CHEMBL1077350 | Small molecule | -- | 545.65 | C29H38F3N5O2 | BASE | Details |
| B000278 | CHEMBL1077351 | Small molecule | -- | 544.66 | C30H39F3N4O2 | BASE | Details |
| B000279 | CHEMBL1077352 | Small molecule | -- | 569.67 | C31H38F3N5O2 | BASE | Details |
| B000280 | CHEMBL1077353 | Small molecule | -- | 571.69 | C31H40F3N5O2 | BASE | Details |
| B000281 | CHEMBL1077354 | Small molecule | -- | 570.7 | C32H41F3N4O2 | BASE | Details |
| B000282 | CHEMBL1077355 | Small molecule | -- | 595.71 | C33H40F3N5O2 | BASE | Details |
| B000283 | CHEMBL1077358 | Small molecule | -- | 567.78 | C32H49N5O4 | BASE | Details |
| B000284 | CHEMBL1077359 | Small molecule | -- | 591.8 | C34H49N5O4 | BASE | Details |
| B000285 | CHEMBL1077360 | Small molecule | -- | 581.8 | C33H51N5O4 | BASE | Details |
| B000286 | CHEMBL1077361 | Small molecule | -- | 605.82 | C35H51N5O4 | BASE | Details |
| B000287 | CHEMBL1077362 | Small molecule | -- | 609.86 | C35H55N5O4 | BASE | Details |
| B000288 | CHEMBL1077363 | Small molecule | -- | 608.87 | C36H56N4O4 | BASE | Details |
| B000289 | CHEMBL1077364 | Small molecule | -- | 623.88 | C36H57N5O4 | BASE | Details |
| B000290 | CHEMBL1077365 | Small molecule | -- | 621.87 | C36H55N5O4 | BASE | Details |
| B000291 | CHEMBL107741 | Small molecule | -- | 408.45 | C23H24N2O5 | ACID | Details |
| B000292 | CHEMBL107746 | Small molecule | -- | 357.43 | C21H24FNO3 | NEUTRAL | Details |
| B000293 | CHEMBL107749 | Small molecule | -- | 569.15 | C34H37ClN4O2 | BASE | Details |
| B000294 | CHEMBL107750 | Small molecule | -- | 556.67 | C31H36N6O4 | BASE | Details |
| B000295 | CHEMBL107753 | Small molecule | -- | 305.42 | C18H27NO3 | NEUTRAL | Details |
| B000296 | CHEMBL1077582 | Small molecule | -- | 770.93 | C42H54N6O8 | ZWITTERION | Details |
| B000297 | CHEMBL1077583 | Small molecule | -- | 809.96 | C44H55N7O8 | ZWITTERION | Details |
| B000298 | CHEMBL1077584 | Small molecule | -- | 784.96 | C43H56N6O8 | ZWITTERION | Details |
| B000299 | CHEMBL1077585 | Small molecule | -- | 823.99 | C45H57N7O8 | ZWITTERION | Details |
| B000300 | CHEMBL1077589 | Protein | -- | 786.93 | C41H54N8O8 | ACID | Details |