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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Bile acid receptor2251 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B137820 | CHEMBL431525 | Small molecule | BETUNOLIC ACID | 454.7 | C30H46O3 | ACID | Details |
| B137822 | CHEMBL431701 | Small molecule | SILYBIN A | 482.44 | C25H22O10 | NEUTRAL | Details |
| B137828 | CHEMBL43185 | Small molecule | PIPERINE | 285.34 | C17H19NO3 | NEUTRAL | Details |
| B137855 | CHEMBL433721 | Small molecule | -- | 153.14 | C6H7N3O2 | NEUTRAL | Details |
| B137861 | CHEMBL433962 | Small molecule | -- | 475.59 | C29H33NO5 | NEUTRAL | Details |
| B137876 | CHEMBL434750 | Small molecule | ERGOSTEROL PEROXIDE | 428.66 | C28H44O3 | NEUTRAL | Details |
| B137879 | CHEMBL434829 | Small molecule | -- | 350.42 | C25H18O2 | NEUTRAL | Details |
| B137895 | CHEMBL435492 | Small molecule | -- | 497.59 | C31H31NO5 | NEUTRAL | Details |
| B137946 | CHEMBL437481 | Small molecule | -- | 572.87 | C29H24Cl3NO5 | ACID | Details |
| B137953 | CHEMBL437926 | Small molecule | TETRADIFON | 356.06 | C12H6Cl4O2S | NEUTRAL | Details |
| B137965 | CHEMBL438521 | Small molecule | -- | 402.58 | C25H38O4 | NEUTRAL | Details |
| B137991 | CHEMBL44 | Small molecule | GENISTEIN | 270.24 | C15H10O5 | NEUTRAL | Details |
| B137996 | CHEMBL440208 | Small molecule | -- | 545.72 | C34H43NO5 | NEUTRAL | Details |
| B138002 | CHEMBL440287 | Small molecule | -- | 147.09 | C2H5N5O3 | NEUTRAL | Details |
| B138016 | CHEMBL441282 | Small molecule | PROPYLPYRAZOLETRIOL | 386.45 | C24H22N2O3 | NEUTRAL | Details |
| B138048 | CHEMBL443050 | Small molecule | -- | 461.56 | C28H31NO5 | NEUTRAL | Details |
| B138059 | CHEMBL443436 | Small molecule | -- | 160.17 | C10H8O2 | None | Details |
| B138060 | CHEMBL4434668 | -- | -- | 615.73 | C37H37N5O4 | NEUTRAL | Details |
| B138084 | CHEMBL4435947 | -- | -- | 514.75 | C32H50O5 | NEUTRAL | Details |
| B138086 | CHEMBL4436049 | -- | -- | 328.37 | C17H20N4O3 | NEUTRAL | Details |
| B138092 | CHEMBL4436181 | -- | -- | 530.75 | C32H50O6 | NEUTRAL | Details |
| B138098 | CHEMBL4436469 | -- | -- | 392.28 | C20H19Cl2NO3 | NEUTRAL | Details |
| B138116 | CHEMBL4437194 | -- | -- | 468.68 | C30H44O4 | NEUTRAL | Details |
| B138119 | CHEMBL4437372 | -- | -- | 520.71 | C30H48O7 | NEUTRAL | Details |
| B138146 | CHEMBL4438792 | -- | -- | 243.31 | C14H17N3O | BASE | Details |
| B138155 | CHEMBL4439164 | -- | -- | 365.43 | C21H23N3O3 | ACID | Details |
| B138167 | CHEMBL4439690 | -- | -- | 563.49 | C25H20F7NO4S | NEUTRAL | Details |
| B138204 | CHEMBL4441366 | -- | -- | 484.35 | C22H22BrN5O3 | NEUTRAL | Details |
| B138207 | CHEMBL4441683 | -- | -- | 444.7 | C29H48O3 | NEUTRAL | Details |
| B138212 | CHEMBL4441750 | -- | -- | 460.66 | C28H44O5 | NEUTRAL | Details |
| B138215 | CHEMBL4441811 | -- | -- | 528.73 | C32H48O6 | NEUTRAL | Details |
| B138242 | CHEMBL4442830 | -- | -- | 504.71 | C30H48O6 | NEUTRAL | Details |
| B138291 | CHEMBL4445524 | -- | -- | 376.24 | C19H15Cl2NO3 | ACID | Details |
| B138295 | CHEMBL4445722 | -- | -- | 482.36 | C26H21Cl2NO4 | ACID | Details |
| B138298 | CHEMBL4445891 | -- | -- | 229.28 | C13H15N3O | BASE | Details |
| B138327 | CHEMBL4447216 | -- | -- | 522.72 | C30H50O7 | NEUTRAL | Details |
| B138341 | CHEMBL4447851 | -- | -- | 546.79 | C33H54O6 | NEUTRAL | Details |
| B138343 | CHEMBL4447977 | -- | -- | 404.47 | C23H24N4O3 | NEUTRAL | Details |
| B138346 | CHEMBL4448140 | -- | -- | 530.75 | C32H50O6 | NEUTRAL | Details |
| B138353 | CHEMBL4448581 | -- | -- | 530.75 | C32H50O6 | NEUTRAL | Details |
| B138354 | CHEMBL4448603 | -- | -- | 387.27 | C20H16Cl2N2O2 | NEUTRAL | Details |
| B138355 | CHEMBL4448642 | -- | -- | 488.71 | C30H48O5 | NEUTRAL | Details |
| B138362 | CHEMBL4448855 | -- | -- | 484.72 | C31H48O4 | NEUTRAL | Details |
| B138367 | CHEMBL4449035 | -- | -- | 536.51 | C28H23F3N4O4 | ACID | Details |
| B138381 | CHEMBL4449675 | -- | -- | 512.78 | C33H52O4 | NEUTRAL | Details |
| B138383 | CHEMBL444970 | Small molecule | CHLORPHRIFOS OXON | 334.52 | C9H11Cl3NO4P | NEUTRAL | Details |
| B138394 | CHEMBL4450162 | -- | -- | 516.76 | C32H52O5 | NEUTRAL | Details |
| B138411 | CHEMBL4450943 | -- | -- | 392.28 | C20H19Cl2NO3 | NEUTRAL | Details |
| B138420 | CHEMBL4451432 | -- | -- | 362.26 | C19H17Cl2NO2 | NEUTRAL | Details |
| B138424 | CHEMBL4451515 | -- | -- | 501.36 | C23H22BrFN4O3 | NEUTRAL | Details |
| B138426 | CHEMBL4451559 | -- | -- | 351.45 | C21H25N3O2 | BASE | Details |
| B138440 | CHEMBL4452655 | -- | -- | 265.32 | C16H15N3O | NEUTRAL | Details |
| B138443 | CHEMBL4452699 | -- | -- | 530.37 | C23H23IN4O3 | NEUTRAL | Details |
| B138460 | CHEMBL445338 | Small molecule | SPIROXAMINE | 297.48 | C18H35NO2 | BASE | Details |
| B138461 | CHEMBL4453417 | -- | -- | 611.72 | C35H38FN5O4 | NEUTRAL | Details |
| B138466 | CHEMBL4453727 | -- | -- | 541.61 | C33H27N5O3 | NEUTRAL | Details |
| B138469 | CHEMBL4453928 | -- | -- | 365.48 | C22H27N3O2 | BASE | Details |
| B138479 | CHEMBL4454184 | -- | -- | 504.71 | C30H48O6 | NEUTRAL | Details |
| B138480 | CHEMBL4454185 | -- | -- | 629.78 | C34H39N5O5S | NEUTRAL | Details |
| B138496 | CHEMBL4454904 | -- | -- | 305.38 | C19H19N3O | BASE | Details |
| B138498 | CHEMBL4455067 | -- | -- | 486.69 | C30H46O5 | NEUTRAL | Details |
| B138501 | CHEMBL4455235 | -- | -- | 551.05 | C32H27ClN4O3 | NEUTRAL | Details |
| B138504 | CHEMBL4455475 | -- | -- | 498.41 | C27H25Cl2NO4 | NEUTRAL | Details |
| B138506 | CHEMBL4455520 | -- | -- | 565.46 | C24H18F7NO5S | NEUTRAL | Details |
| B138518 | CHEMBL4455911 | -- | -- | 526.42 | C28H25Cl2NO5 | NEUTRAL | Details |
| B138541 | CHEMBL4456858 | -- | -- | 544.77 | C33H52O6 | NEUTRAL | Details |
| B138543 | CHEMBL4456883 | -- | -- | 440.35 | C20H19Cl2NO4S | NEUTRAL | Details |
| B138561 | CHEMBL4457628 | -- | -- | 337.42 | C20H23N3O2 | NEUTRAL | Details |
| B138583 | CHEMBL4458677 | -- | -- | 526.76 | C33H50O5 | NEUTRAL | Details |
| B138596 | CHEMBL4459258 | -- | -- | 546.83 | C34H58O5 | NEUTRAL | Details |
| B138615 | CHEMBL4460146 | -- | -- | 379.46 | C22H25N3O3 | ZWITTERION | Details |
| B138634 | CHEMBL4461163 | -- | -- | 493.39 | C27H22Cl2N2O3 | NEUTRAL | Details |
| B138642 | CHEMBL4461640 | -- | -- | 516.6 | C32H28N4O3 | NEUTRAL | Details |
| B138663 | CHEMBL4462669 | -- | -- | 553.71 | C33H39N5O3 | NEUTRAL | Details |
| B138668 | CHEMBL446317 | Small molecule | -- | 556.78 | C34H52O6 | ACID | Details |
| B138669 | CHEMBL4463196 | -- | -- | 593.73 | C35H39N5O4 | NEUTRAL | Details |
| B138672 | CHEMBL4463254 | -- | -- | 470.69 | C30H46O4 | NEUTRAL | Details |
| B138696 | CHEMBL4464005 | -- | -- | 337.38 | C19H19N3O3 | ACID | Details |
| B138700 | CHEMBL4464270 | -- | -- | 279.34 | C17H17N3O | BASE | Details |
| B138712 | CHEMBL4465197 | -- | -- | 465.41 | C22H22F7NO2 | NEUTRAL | Details |
| B138714 | CHEMBL4465272 | -- | -- | 390.49 | C23H26N4O2 | NEUTRAL | Details |
| B138717 | CHEMBL4465331 | -- | -- | 311.31 | C15H16F3N3O | BASE | Details |
| B138719 | CHEMBL4465344 | -- | -- | 406.27 | C20H17Cl2NO4 | ACID | Details |
| B138740 | CHEMBL4466082 | -- | -- | 502.74 | C34H46O3 | NEUTRAL | Details |
| B138743 | CHEMBL4466386 | -- | -- | 446.67 | C28H46O4 | NEUTRAL | Details |
| B138752 | CHEMBL4466662 | -- | -- | 471.55 | C26H33NO7 | NEUTRAL | Details |
| B138755 | CHEMBL4466709 | -- | -- | 533.52 | C21H22Cl2N2O4S3 | ACID | Details |
| B138763 | CHEMBL4467008 | -- | -- | 528.73 | C32H48O6 | NEUTRAL | Details |
| B138765 | CHEMBL4467078 | -- | -- | 587.64 | C31H36F3N3O5 | ACID | Details |
| B138810 | CHEMBL4470072 | -- | -- | 430.63 | C26H42N2O3 | NEUTRAL | Details |
| B138815 | CHEMBL4470523 | -- | -- | 452.94 | C24H25ClN4O3 | NEUTRAL | Details |
| B138818 | CHEMBL4470753 | -- | -- | 444.33 | C22H22BrNO4 | ACID | Details |
| B138836 | CHEMBL4471502 | -- | -- | 538.69 | C33H38N4O3 | NEUTRAL | Details |
| B138839 | CHEMBL4471591 | -- | -- | 387.27 | C20H16Cl2N2O2 | NEUTRAL | Details |
| B138845 | CHEMBL4471852 | -- | -- | 472.71 | C30H48O4 | NEUTRAL | Details |
| B138859 | CHEMBL4472502 | -- | -- | 483.37 | C23H23BrN4O3 | NEUTRAL | Details |
| B138860 | CHEMBL4472554 | -- | -- | 608.74 | C35H40N6O4 | NEUTRAL | Details |
| B138864 | CHEMBL4472831 | -- | -- | 456.58 | C27H36O6 | NEUTRAL | Details |
| B138876 | CHEMBL4473498 | -- | -- | 511.42 | C25H27BrN4O3 | NEUTRAL | Details |
| B138884 | CHEMBL4473940 | -- | -- | 560.82 | C34H56O6 | NEUTRAL | Details |