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 | |
|---|---|---|---|---|---|---|---|
| B001701 | CHEMBL120088 | Small molecule | -- | 490.53 | C23H26N2O8S | ACID | Details |
| B001702 | CHEMBL1200885 | Small molecule | ALOSETRON HYDROCHLORIDE | 330.82 | C17H19ClN4O | NEUTRAL | Details |
| B001703 | CHEMBL1200896 | Small molecule | DINOPROST TROMETHAMINE | 475.62 | C24H45NO8 | ACID | Details |
| B001704 | CHEMBL1200916 | Small molecule | THIORIDAZINE HYDROCHLORIDE | 407.05 | C21H27ClN2S2 | BASE | Details |
| B001705 | CHEMBL1200927 | Small molecule | DEXCHLORPHENIRAMINE MALEATE | 390.87 | C20H23ClN2O4 | BASE | Details |
| B001706 | CHEMBL1200961 | Small molecule | BROMPHENIRAMINE MALEATE | 435.32 | C20H23BrN2O4 | BASE | Details |
| B001707 | CHEMBL1200964 | Small molecule | AMITRIPTYLINE HYDROCHLORIDE | 313.87 | C20H24ClN | BASE | Details |
| B001708 | CHEMBL1200976 | Small molecule | IDARUBICIN HYDROCHLORIDE | 533.96 | C26H28ClNO9 | BASE | Details |
| B001709 | CHEMBL1200981 | Small molecule | EPIRUBICIN HYDROCHLORIDE | 579.99 | C27H30ClNO11 | BASE | Details |
| B001710 | CHEMBL1200993 | Small molecule | GALLAMINE TRIETHIODIDE | 891.54 | C30H60I3N3O3 | NEUTRAL | Details |
| B001711 | CHEMBL1201 | Small molecule | THIOTHIXENE | 443.64 | C23H29N3O2S2 | NEUTRAL | Details |
| B001712 | CHEMBL1201001 | Small molecule | MECHLORETHAMINE HYDROCHLORIDE | 192.52 | C5H12Cl3N | NEUTRAL | Details |
| B001713 | CHEMBL1201007 | Small molecule | HYDROXYZINE HYDROCHLORIDE | 411.37 | C21H28Cl2N2O2 | NEUTRAL | Details |
| B001714 | CHEMBL1201010 | Small molecule | FLUDROCORTISONE ACETATE | 422.49 | C23H31FO6 | NEUTRAL | Details |
| B001715 | CHEMBL1201012 | Small molecule | FLURANDRENOLIDE | 436.52 | C24H33FO6 | NEUTRAL | Details |
| B001716 | CHEMBL1201022 | Small molecule | PHENAZOPYRIDINE HYDROCHLORIDE | 249.71 | C11H12ClN5 | NEUTRAL | Details |
| B001717 | CHEMBL1201023 | Small molecule | ORPHENADRINE HYDROCHLORIDE | 305.85 | C18H24ClNO | BASE | Details |
| B001718 | CHEMBL1201024 | Small molecule | METHSCOPOLAMINE BROMIDE | 398.3 | C18H24BrNO4 | NEUTRAL | Details |
| B001719 | CHEMBL1201038 | Small molecule | ACRISORCIN | 388.51 | C25H28N2O2 | None | Details |
| B001720 | CHEMBL1201043 | Small molecule | CEPHAPIRIN SODIUM | 445.45 | C17H16N3NaO6S2 | ACID | Details |
| B001721 | CHEMBL1201049 | Small molecule | ECONAZOLE NITRATE | 444.7 | C18H16Cl3N3O4 | NEUTRAL | Details |
| B001722 | CHEMBL1201059 | Small molecule | CHLOROGUANIDE HYDROCHLORIDE | 290.2 | C11H17Cl2N5 | BASE | Details |
| B001723 | CHEMBL1201063 | Small molecule | PROPAFENONE HYDROCHLORIDE | 377.91 | C21H28ClNO3 | BASE | Details |
| B001724 | CHEMBL1201082 | Small molecule | FLUOXETINE HYDROCHLORIDE | 345.79 | C17H19ClF3NO | BASE | Details |
| B001725 | CHEMBL1201102 | Small molecule | TRIFLUPROMAZINE HYDROCHLORIDE | 388.89 | C18H20ClF3N2S | BASE | Details |
| B001726 | CHEMBL1201111 | Small molecule | ONDANSETRON HYDROCHLORIDE | 329.83 | C18H20ClN3O | NEUTRAL | Details |
| B001727 | CHEMBL1201117 | Small molecule | METHOCARBAMOL | 241.24 | C11H15NO5 | NEUTRAL | Details |
| B001728 | CHEMBL1201119 | Small molecule | LIOTHYRONINE SODIUM | 672.96 | C15H11I3NNaO4 | ZWITTERION | Details |
| B001729 | CHEMBL1201131 | Small molecule | PIPERONYL BUTOXIDE | 338.44 | C19H30O5 | NEUTRAL | Details |
| B001730 | CHEMBL1201139 | Small molecule | MEGESTROL ACETATE | 384.52 | C24H32O4 | NEUTRAL | Details |
| B001731 | CHEMBL1201146 | Small molecule | NORETHINDRONE ACETATE | 340.46 | C22H28O3 | NEUTRAL | Details |
| B001732 | CHEMBL1201147 | Small molecule | OCTOCRYLENE | 361.49 | C24H27NO2 | None | Details |
| B001733 | CHEMBL1201151 | Small molecule | MESTRANOL | 310.44 | C21H26O2 | NEUTRAL | Details |
| B001734 | CHEMBL1201153 | Small molecule | ISOETHARINE MESYLATE | 335.42 | C14H25NO6S | BASE | Details |
| B001735 | CHEMBL1201155 | Small molecule | LOXAPINE SUCCINATE | 445.9 | C22H24ClN3O5 | NEUTRAL | Details |
| B001736 | CHEMBL1201156 | Small molecule | NORTRIPTYLINE HYDROCHLORIDE | 299.85 | C19H22ClN | BASE | Details |
| B001737 | CHEMBL1201182 | Small molecule | TEMSIROLIMUS | 1030.3 | C56H87NO16 | None | Details |
| B001738 | CHEMBL1201187 | Small molecule | MARAVIROC | 513.68 | C29H41F2N5O | BASE | Details |
| B001739 | CHEMBL1201193 | Small molecule | LEVOBUPIVACAINE | 288.44 | C18H28N2O | NEUTRAL | Details |
| B001740 | CHEMBL1201195 | Small molecule | CEFMETAZOLE | 471.55 | C15H17N7O5S3 | ACID | Details |
| B001741 | CHEMBL1201203 | Small molecule | BENZTROPINE | 307.44 | C21H25NO | BASE | Details |
| B001742 | CHEMBL1201207 | Small molecule | BETAMETHASONE PHOSPHORIC ACID | 472.45 | C22H30FO8P | ACID | Details |
| B001743 | CHEMBL1201216 | Small molecule | DAPIPRAZOLE | 325.46 | C19H27N5 | NEUTRAL | Details |
| B001744 | CHEMBL1201217 | Small molecule | DYCLONINE | 289.42 | C18H27NO2 | NEUTRAL | Details |
| B001745 | CHEMBL1201220 | Small molecule | DIATRIZOIC ACID | 613.92 | C11H9I3N2O4 | ACID | Details |
| B001746 | CHEMBL1201237 | Small molecule | LEVOBUNOLOL | 291.39 | C17H25NO3 | BASE | Details |
| B001747 | CHEMBL12013 | Small molecule | -- | 546.69 | C30H34N4O4S | ACID | Details |
| B001748 | CHEMBL1201313 | Small molecule | CHLOPHEDIANOL | 289.81 | C17H20ClNO | BASE | Details |
| B001749 | CHEMBL1201346 | Small molecule | BALSALAZIDE | 357.32 | C17H15N3O6 | ACID | Details |
| B001750 | CHEMBL1201353 | Small molecule | DEXCHLORPHENIRAMINE | 274.8 | C16H19ClN2 | BASE | Details |
| B001751 | CHEMBL1201356 | Small molecule | METHYLERGONOVINE | 339.44 | C20H25N3O2 | NEUTRAL | Details |
| B001752 | CHEMBL1201469 | Small molecule | GRAMICIDIN | -- | -- | -- | Details |
| B001753 | CHEMBL120153 | Small molecule | -- | 574.55 | C29H29F3N2O7 | ACID | Details |
| B001754 | CHEMBL1201631 | Protein | INSULIN | -- | -- | -- | Details |
| B001755 | CHEMBL120178 | Small molecule | -- | 430.44 | C17H22N2O9S | ACID | Details |
| B001756 | CHEMBL120204 | Small molecule | -- | 619.78 | C34H41N3O6S | NEUTRAL | Details |
| B001757 | CHEMBL120211 | Small molecule | -- | 305.38 | C19H19N3O | NEUTRAL | Details |
| B001758 | CHEMBL120243 | Small molecule | -- | 409.4 | C21H22F3NO4 | ACID | Details |
| B001759 | CHEMBL120244 | Small molecule | -- | 437.46 | C23H26F3NO4 | ACID | Details |
| B001760 | CHEMBL120245 | Small molecule | -- | 354.46 | C23H22N4 | NEUTRAL | Details |
| B001761 | CHEMBL120246 | Small molecule | -- | 423.43 | C22H24F3NO4 | ACID | Details |
| B001762 | CHEMBL120318 | Small molecule | -- | 524.55 | C28H29FN2O7 | ACID | Details |
| B001763 | CHEMBL120323 | Small molecule | -- | 472.52 | C20H28N2O9S | ACID | Details |
| B001764 | CHEMBL1203698 | Small molecule | -- | 359.86 | C19H22ClN3O2 | BASE | Details |
| B001765 | CHEMBL120411 | Small molecule | -- | 603.46 | C29H28Cl2N2O8 | ACID | Details |
| B001766 | CHEMBL120414 | Small molecule | -- | 563.61 | C30H33N3O8 | ACID | Details |
| B001767 | CHEMBL1204146 | Small molecule | PHENTOLAMINE HYDROCHLORIDE | 317.82 | C17H20ClN3O | BASE | Details |
| B001768 | CHEMBL120419 | Small molecule | -- | 571.74 | C30H41N3O6S | NEUTRAL | Details |
| B001769 | CHEMBL1204336 | Small molecule | -- | 255.77 | C11H14ClN3S | BASE | Details |
| B001770 | CHEMBL120442 | Small molecule | -- | 610.66 | C35H34N2O8 | ACID | Details |
| B001771 | CHEMBL120444 | Small molecule | -- | 447.53 | C27H29NO5 | ACID | Details |
| B001772 | CHEMBL1204498 | Small molecule | -- | 404.21 | C18H11Cl2N3O4 | ACID | Details |
| B001773 | CHEMBL120456 | Small molecule | -- | 395.38 | C20H20F3NO4 | ACID | Details |
| B001774 | CHEMBL1205 | Small molecule | NELFINAVIR MESYLATE | 663.9 | C33H49N3O7S2 | NEUTRAL | Details |
| B001775 | CHEMBL120513 | Small molecule | -- | 576.8 | C34H44N2O4S | NEUTRAL | Details |
| B001776 | CHEMBL1205188 | Small molecule | -- | 346.48 | C19H30N4O2 | ACID | Details |
| B001777 | CHEMBL120522 | Small molecule | -- | 574.55 | C29H29F3N2O7 | ACID | Details |
| B001778 | CHEMBL120526 | Small molecule | METHANANDAMIDE | 361.57 | C23H39NO2 | NEUTRAL | Details |
| B001779 | CHEMBL120563 | Small molecule | THIRAM | 240.44 | C6H12N2S4 | None | Details |
| B001780 | CHEMBL120569 | Small molecule | -- | 619.78 | C34H41N3O6S | NEUTRAL | Details |
| B001781 | CHEMBL120570 | Small molecule | -- | 483.63 | C27H33NO5S | ACID | Details |
| B001782 | CHEMBL120574 | Small molecule | -- | 367.32 | C18H16F3NO4 | ACID | Details |
| B001783 | CHEMBL120584 | Small molecule | -- | 619.78 | C34H41N3O6S | NEUTRAL | Details |
| B001784 | CHEMBL120587 | Small molecule | -- | 370.46 | C23H22N4O | NEUTRAL | Details |
| B001785 | CHEMBL120611 | Small molecule | -- | 423.43 | C22H24F3NO4 | ACID | Details |
| B001786 | CHEMBL120620 | Small molecule | -- | 395.38 | C20H20F3NO4 | ACID | Details |
| B001787 | CHEMBL120643 | Small molecule | -- | 382.59 | C26H38O2 | NEUTRAL | Details |
| B001788 | CHEMBL120676 | Small molecule | -- | 371.43 | C21H25NO5 | ACID | Details |
| B001789 | CHEMBL120712 | Small molecule | -- | 630.63 | C34H35N2O8P | ACID | Details |
| B001790 | CHEMBL120718 | Small molecule | -- | 311.33 | C18H15F2N3 | NEUTRAL | Details |
| B001791 | CHEMBL120744 | Small molecule | -- | 425.4 | C21H22F3NO5 | ACID | Details |
| B001792 | CHEMBL120748 | Small molecule | -- | 396.41 | C21H23F3O4 | ACID | Details |
| B001793 | CHEMBL120769 | Small molecule | -- | 590.55 | C29H29F3N2O8 | ACID | Details |
| B001794 | CHEMBL1207889 | Small molecule | -- | 100.07 | HFO3S | ACID | Details |
| B001795 | CHEMBL120799 | Small molecule | -- | 279.32 | C17H14FN3 | NEUTRAL | Details |
| B001796 | CHEMBL1208 | Small molecule | CINOXACIN | 262.22 | C12H10N2O5 | ACID | Details |
| B001797 | CHEMBL1208422 | Small molecule | ROSE BENGAL | 973.67 | C20H4Cl4I4O5 | ACID | Details |
| B001798 | CHEMBL1208572 | Small molecule | SALINOMYCIN | 751.01 | C42H70O11 | ACID | Details |
| B001799 | CHEMBL1208794 | Small molecule | -- | 608.4 | C28H22Cl2F3N3O5 | ACID | Details |
| B001800 | CHEMBL1208858 | Small molecule | CALMIDAZOLIUM CHLORIDE | 687.71 | C31H23Cl7N2O | NEUTRAL | Details |