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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Farnesoid X-activated receptor2251 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B000007 | CHEMBL10041 | Small molecule | AFIMOXIFENE | 387.52 | C26H29NO2 | BASE | Details |
| B000038 | CHEMBL101327 | Small molecule | -- | 545.92 | C28H20ClF4NO4 | ACID | Details |
| B000041 | CHEMBL101381 | Small molecule | -- | 587.3 | C28H22BrCl2NO4 | ACID | Details |
| B000048 | CHEMBL101547 | Small molecule | -- | 522.43 | C29H25Cl2NO4 | ACID | Details |
| B000083 | CHEMBL103 | Small molecule | PROGESTERONE | 314.47 | C21H30O2 | NEUTRAL | Details |
| B000089 | CHEMBL103394 | Small molecule | -- | 522.43 | C29H25Cl2NO4 | ACID | Details |
| B000101 | CHEMBL104 | Small molecule | CLOTRIMAZOLE | 344.85 | C22H17ClN2 | NEUTRAL | Details |
| B000104 | CHEMBL1042 | Small molecule | CHOLECALCIFEROL | 384.65 | C27H44O | NEUTRAL | Details |
| B000153 | CHEMBL105712 | Small molecule | PHENACYL CHLORIDE | 154.6 | C8H7ClO | NEUTRAL | Details |
| B000189 | CHEMBL107 | Small molecule | COLCHICINE | 399.44 | C22H25NO6 | NEUTRAL | Details |
| B000193 | CHEMBL1071 | Small molecule | OXAPROZIN | 293.32 | C18H15NO3 | ACID | Details |
| B000232 | CHEMBL1076347 | Small molecule | TRICLOCARBAN | 315.59 | C13H9Cl3N2O | NEUTRAL | Details |
| B000325 | CHEMBL1078384 | Small molecule | -- | 294.39 | C20H22O2 | NEUTRAL | Details |
| B000568 | CHEMBL108505 | Small molecule | DIHYDROBETULINIC ACID | 458.73 | C30H50O3 | ACID | Details |
| B000669 | CHEMBL108766 | Small molecule | DODECANOATE | 200.32 | C12H24O2 | ACID | Details |
| B000686 | CHEMBL1088184 | Small molecule | DIBUTYLDICHLOROSTANNANE | 303.85 | C8H18Cl2Sn | None | Details |
| B000687 | CHEMBL1088186 | Small molecule | TRIBUTYLCHLOROSTANNANE | 325.51 | C12H27ClSn | None | Details |
| B000690 | CHEMBL108829 | Small molecule | 2-PHENYLPHENOL | 170.21 | C12H10O | NEUTRAL | Details |
| B000692 | CHEMBL108851 | Small molecule | -- | 150.22 | C10H14O | NEUTRAL | Details |
| B000694 | CHEMBL108861 | Small molecule | METHYLEUGENOL | 178.23 | C11H14O2 | NEUTRAL | Details |
| B000783 | CHEMBL109037 | Small molecule | -- | 213.19 | C9H11NO5 | ZWITTERION | Details |
| B000961 | CHEMBL1093532 | Small molecule | -- | 442.46 | C23H17F3N2O2S | NEUTRAL | Details |
| B000983 | CHEMBL1095699 | Small molecule | AZASERINE | 173.13 | C5H7N3O4 | ACID | Details |
| B001009 | CHEMBL109737 | Small molecule | -- | 213.41 | C14H31N | BASE | Details |
| B001010 | CHEMBL1097474 | Small molecule | GANODERIC ACID TR | 468.68 | C30H44O4 | ACID | Details |
| B001029 | CHEMBL1098658 | Small molecule | YANGONIN | 258.27 | C15H14O4 | NEUTRAL | Details |
| B001054 | CHEMBL110739 | Small molecule | CORTICOSTERONE | 346.47 | C21H30O4 | NEUTRAL | Details |
| B001064 | CHEMBL111077 | Small molecule | MYRISTIC ACID | 228.38 | C14H28O2 | ACID | Details |
| B001077 | CHEMBL1116 | Small molecule | RALOXIFENE HYDROCHLORIDE | 510.06 | C28H28ClNO4S | NEUTRAL | Details |
| B001129 | CHEMBL1138 | Small molecule | EZETIMIBE | 409.43 | C24H21F2NO3 | NEUTRAL | Details |
| B001132 | CHEMBL1142 | Small molecule | 4-AMINOPHENOL | 109.13 | C6H7NO | NEUTRAL | Details |
| B001292 | CHEMBL1165553 | Small molecule | BROMODIOLONE | 527.41 | C30H23BrO4 | ACID | Details |
| B001323 | CHEMBL117 | Small molecule | CHRYSIN | 254.24 | C15H10O4 | NEUTRAL | Details |
| B001642 | CHEMBL1200468 | Small molecule | MALATHION | 330.36 | C10H19O6PS2 | NEUTRAL | Details |
| B001644 | CHEMBL1200471 | Small molecule | PYRITHIONE ZINC | 317.71 | C10H8N2O2S2Zn | NEUTRAL | Details |
| B001656 | CHEMBL1200585 | Small molecule | OXYMETHOLONE | 332.48 | C21H32O3 | NEUTRAL | Details |
| B001664 | CHEMBL1200633 | Unknown | IVERMECTIN | 1736.18 | C95H146O28 | None | Details |
| B001687 | CHEMBL1200787 | Small molecule | PHENOXYBENZAMINE HYDROCHLORIDE | 340.29 | C18H23Cl2NO | NEUTRAL | Details |
| B001707 | CHEMBL1200964 | Small molecule | AMITRIPTYLINE HYDROCHLORIDE | 313.87 | C20H24ClN | BASE | Details |
| B001712 | CHEMBL1201001 | Small molecule | MECHLORETHAMINE HYDROCHLORIDE | 192.52 | C5H12Cl3N | NEUTRAL | Details |
| B001716 | CHEMBL1201022 | Small molecule | PHENAZOPYRIDINE HYDROCHLORIDE | 249.71 | C11H12ClN5 | NEUTRAL | Details |
| B001721 | CHEMBL1201049 | Small molecule | ECONAZOLE NITRATE | 444.7 | C18H16Cl3N3O4 | NEUTRAL | Details |
| B001774 | CHEMBL1205 | Small molecule | NELFINAVIR MESYLATE | 663.9 | C33H49N3O7S2 | NEUTRAL | Details |
| B001776 | CHEMBL1205188 | Small molecule | -- | 346.48 | C19H30N4O2 | ACID | Details |
| B001779 | CHEMBL120563 | Small molecule | THIRAM | 240.44 | C6H12N2S4 | None | Details |
| B001799 | CHEMBL1208794 | Small molecule | -- | 608.4 | C28H22Cl2F3N3O5 | ACID | Details |
| B001802 | CHEMBL1209002 | Small molecule | -- | 594.37 | C27H20Cl2F3N3O5 | ACID | Details |
| B001803 | CHEMBL1209003 | Small molecule | -- | 554.43 | C28H25Cl2N3O5 | ACID | Details |
| B001804 | CHEMBL1209058 | Small molecule | -- | 608.4 | C28H22Cl2F3N3O5 | ACID | Details |
| B001805 | CHEMBL1209059 | Small molecule | -- | 422.27 | C19H17Cl2N3O4 | NEUTRAL | Details |
| B001806 | CHEMBL1209060 | Small molecule | -- | 427.33 | C23H20Cl2N2O2 | NEUTRAL | Details |
| B001807 | CHEMBL1209061 | Small molecule | -- | 445.27 | C20H17Cl2F3N2O2 | NEUTRAL | Details |
| B001809 | CHEMBL1209108 | Small molecule | -- | 580.39 | C27H22Cl2F3N3O4 | ACID | Details |
| B001810 | CHEMBL1209109 | Small molecule | -- | 594.42 | C28H24Cl2F3N3O4 | ACID | Details |
| B001811 | CHEMBL1209110 | Small molecule | -- | 622.47 | C30H28Cl2F3N3O4 | ACID | Details |
| B001812 | CHEMBL1209111 | Small molecule | -- | 594.42 | C28H24Cl2F3N3O4 | ACID | Details |
| B001813 | CHEMBL1209112 | Small molecule | -- | 671.53 | C29H27Cl2F3N4O5S | ACID | Details |
| B001814 | CHEMBL1209113 | Small molecule | -- | 624.44 | C29H26Cl2F3N3O5 | ACID | Details |
| B001815 | CHEMBL1209169 | Small molecule | -- | 610.46 | C29H28Cl2F3N3O4 | NEUTRAL | Details |
| B001816 | CHEMBL1209170 | Small molecule | -- | 592.4 | C28H22Cl2F3N3O4 | ACID | Details |
| B001817 | CHEMBL1209171 | Small molecule | -- | 671.53 | C29H27Cl2F3N4O5S | ACID | Details |
| B001818 | CHEMBL1209172 | Small molecule | -- | 717.47 | C30H30Cl2F3N4O7P | ACID | Details |
| B001819 | CHEMBL1209173 | Small molecule | -- | 592.4 | C28H22Cl2F3N3O4 | ACID | Details |
| B001820 | CHEMBL1209174 | Small molecule | -- | 699.54 | C30H27Cl2F3N4O6S | ACID | Details |
| B001821 | CHEMBL1209175 | Small molecule | -- | 606.43 | C29H24Cl2F3N3O4 | ACID | Details |
| B001822 | CHEMBL1209227 | Small molecule | -- | 560.87 | C27H24Cl3N3O4 | ACID | Details |
| B001823 | CHEMBL1209228 | Small molecule | -- | 560.87 | C27H24Cl3N3O4 | ACID | Details |
| B001824 | CHEMBL1209229 | Small molecule | -- | 592.4 | C28H22Cl2F3N3O4 | ACID | Details |
| B001825 | CHEMBL1209230 | Small molecule | -- | 606.43 | C29H24Cl2F3N3O4 | ACID | Details |
| B001826 | CHEMBL1209292 | Small molecule | -- | 579.36 | C27H19Cl2F3N2O5 | ACID | Details |
| B001827 | CHEMBL1209293 | Small molecule | -- | 579.36 | C27H19Cl2F3N2O5 | ACID | Details |
| B001828 | CHEMBL1209294 | Small molecule | -- | 579.36 | C27H19Cl2F3N2O5 | ACID | Details |
| B001831 | CHEMBL1209364 | Small molecule | -- | 593.39 | C28H21Cl2F3N2O5 | ACID | Details |
| B001832 | CHEMBL1209365 | Small molecule | -- | 593.39 | C28H21Cl2F3N2O5 | ACID | Details |
| B001863 | CHEMBL1213137 | Small molecule | -- | 598.09 | C32H36ClNO8 | BASE | Details |
| B001928 | CHEMBL1221 | Small molecule | SULCONAZOLE | 397.76 | C18H15Cl3N2S | NEUTRAL | Details |
| B002065 | CHEMBL1223740 | Small molecule | CRYPTOCHINONE A | 300.31 | C17H16O5 | NEUTRAL | Details |
| B002066 | CHEMBL1223741 | Small molecule | CRYPTOCHINONE B | 300.31 | C17H16O5 | NEUTRAL | Details |
| B002067 | CHEMBL1223742 | Small molecule | 7-O-METHYLCRYPTOCHINONE A | 314.34 | C18H18O5 | NEUTRAL | Details |
| B002068 | CHEMBL1223743 | Small molecule | 7-O-METHYLCRYPTOCHINONE B | 314.34 | C18H18O5 | NEUTRAL | Details |
| B002100 | CHEMBL1229766 | Small molecule | PENTAETHYLENE GLYCOL | 238.28 | C10H22O6 | NEUTRAL | Details |
| B002118 | CHEMBL1231107 | Small molecule | CYROMAZINE | 166.19 | C6H10N6 | BASE | Details |
| B002131 | CHEMBL1232240 | Small molecule | DIPENTYLAMINE | 157.3 | C10H23N | BASE | Details |
| B002132 | CHEMBL1232286 | Small molecule | -- | 204.18 | C11H8O4 | ACID | Details |
| B002136 | CHEMBL1232712 | Small molecule | -- | 391.56 | C26H33NO2 | NEUTRAL | Details |
| B002138 | CHEMBL1232792 | Small molecule | FENAMIDONE | 311.41 | C17H17N3OS | NEUTRAL | Details |
| B002140 | CHEMBL123292 | Small molecule | CYCLOHEXIMIDE | 281.35 | C15H23NO4 | NEUTRAL | Details |
| B002145 | CHEMBL1233687 | Small molecule | -- | 392.58 | C24H40O4 | ACID | Details |
| B002155 | CHEMBL1235157 | Small molecule | PENTABROMOPHENOL | 488.59 | C6HBr5O | ACID | Details |
| B002156 | CHEMBL1235226 | Small molecule | DI(HYDROXYETHYL)ETHER | 106.12 | C4H10O3 | NEUTRAL | Details |
| B002179 | CHEMBL1236924 | Small molecule | INT131 | 514.22 | C21H12Cl4N2O3S | NEUTRAL | Details |
| B002192 | CHEMBL1239 | Small molecule | BENZYL BENZOATE | 212.25 | C14H12O2 | None | Details |
| B002299 | CHEMBL1253814 | Small molecule | -- | 378.6 | C24H42O3 | NEUTRAL | Details |
| B002334 | CHEMBL1254903 | Small molecule | -- | 376.58 | C24H40O3 | ACID | Details |
| B002337 | CHEMBL1254990 | Small molecule | NORUCHOLIC ACID | 378.55 | C23H38O4 | ACID | Details |
| B002381 | CHEMBL1256630 | Small molecule | PENDIMETHALIN | 281.31 | C13H19N3O4 | NEUTRAL | Details |
| B002391 | CHEMBL1256669 | Small molecule | BUTRALIN | 295.34 | C14H21N3O4 | NEUTRAL | Details |
| B002409 | CHEMBL1256761 | Small molecule | -- | 436.08 | C23H46ClNO4 | ACID | Details |
| B002460 | CHEMBL1261 | Small molecule | CITRIC ACID | 192.12 | C6H8O7 | ACID | Details |
| B002516 | CHEMBL1270910 | Small molecule | -- | 407.51 | C21H33N3O5 | NEUTRAL | Details |