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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Peroxisome proliferator-activated receptor delta3381 records.
Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
---|---|---|---|---|---|---|---|
B144864 | CHEMBL606425 | Small molecule | -- | 502.61 | C33H30N2O3 | ACID | Details |
B144867 | CHEMBL606462 | Small molecule | -- | 396.49 | C23H28N2O4 | ACID | Details |
B144912 | CHEMBL609901 | Small molecule | -- | 406.81 | C16H14ClF3N2O3S | NEUTRAL | Details |
B144922 | CHEMBL611073 | Small molecule | -- | 471.68 | C15H11BrClF3N2O3S | NEUTRAL | Details |
B144934 | CHEMBL614 | Small molecule | PYRAZINAMIDE | 123.11 | C5H5N3O | NEUTRAL | Details |
B144949 | CHEMBL62136 | Small molecule | T091317 | 481.34 | C17H12F9NO3S | NEUTRAL | Details |
B144984 | CHEMBL63857 | Small molecule | PHENOLPHTHALEIN | 318.33 | C20H14O4 | NEUTRAL | Details |
B145016 | CHEMBL64894 | Small molecule | GENTIAN VIOLET | 407.99 | C25H30ClN3 | NEUTRAL | Details |
B145068 | CHEMBL672 | Small molecule | FENOFIBRATE | 360.84 | C20H21ClO4 | NEUTRAL | Details |
B145090 | CHEMBL683 | Small molecule | CLOFIBRIC ACID | 214.65 | C10H11ClO3 | ACID | Details |
B145098 | CHEMBL686 | Small molecule | MEFENAMIC ACID | 241.29 | C15H15NO2 | ACID | Details |
B145112 | CHEMBL692 | Small molecule | GLYCERIN | 92.09 | C3H8O3 | NEUTRAL | Details |
B145115 | CHEMBL69367 | Small molecule | -- | 351.45 | C22H25NO3 | ACID | Details |
B145134 | CHEMBL7002 | Small molecule | CIGLITAZONE | 333.45 | C18H23NO3S | NEUTRAL | Details |
B145146 | CHEMBL705 | Small molecule | ALITRETINOIN | 300.44 | C20H28O2 | ACID | Details |
B145166 | CHEMBL70971 | Small molecule | CARBENDAZIM | 191.19 | C9H9N3O2 | NEUTRAL | Details |
B145195 | CHEMBL717 | Small molecule | MEDROXYPROGESTERONE ACETATE | 386.53 | C24H34O4 | NEUTRAL | Details |
B145199 | CHEMBL71893 | Small molecule | ABIETIC ACID | 302.46 | C20H30O2 | ACID | Details |
B145226 | CHEMBL7301 | Small molecule | FENRETINIDE | 391.56 | C26H33NO2 | NEUTRAL | Details |
B145282 | CHEMBL75967 | Small molecule | PENTACHLOROPHENOL | 266.34 | C6HCl5O | ACID | Details |
B145295 | CHEMBL76676 | Small molecule | -- | 438.52 | C25H30N2O5 | ACID | Details |
B145307 | CHEMBL77040 | Small molecule | -- | 396.44 | C22H24N2O5 | ACID | Details |
B145311 | CHEMBL772 | Small molecule | RESERPINE | 608.69 | C33H40N2O9 | NEUTRAL | Details |
B145324 | CHEMBL77502 | Small molecule | LY-510929 | 463.56 | C26H25NO5S | ACID | Details |
B145342 | CHEMBL78442 | Small molecule | -- | 430.89 | C22H23ClN2O5 | ACID | Details |
B145343 | CHEMBL78476 | Small molecule | -- | 388.46 | C21H28N2O5 | ACID | Details |
B145344 | CHEMBL78523 | Small molecule | -- | 400.41 | C21H21FN2O5 | ACID | Details |
B145345 | CHEMBL78529 | Small molecule | -- | 471.55 | C29H29NO5 | ACID | Details |
B145347 | CHEMBL786 | Small molecule | TAMOXIFEN CITRATE | 563.65 | C32H37NO8 | BASE | Details |
B145353 | CHEMBL790 | Small molecule | CHLORHEXIDINE | 505.46 | C22H30Cl2N10 | BASE | Details |
B145362 | CHEMBL79426 | Small molecule | -- | 463.56 | C26H25NO5S | ACID | Details |
B145374 | CHEMBL7983 | Small molecule | PROPYL GALLATE | 212.2 | C10H12O5 | NEUTRAL | Details |
B145389 | CHEMBL80301 | Small molecule | -- | 396.44 | C22H24N2O5 | ACID | Details |
B145390 | CHEMBL80364 | Small molecule | -- | 424.5 | C24H28N2O5 | ACID | Details |
B145393 | CHEMBL806 | Small molecule | FLUTAMIDE | 276.21 | C11H11F3N2O3 | NEUTRAL | Details |
B145395 | CHEMBL80671 | Small molecule | -- | 416.86 | C21H21ClN2O5 | ACID | Details |
B145400 | CHEMBL80772 | Small molecule | -- | 400.41 | C21H21FN2O5 | ACID | Details |
B145401 | CHEMBL80791 | Small molecule | -- | 464.44 | C23H23F3N2O5 | ACID | Details |
B145407 | CHEMBL80905 | Small molecule | -- | 466.41 | C22H21F3N2O6 | ACID | Details |
B145409 | CHEMBL80979 | Small molecule | -- | 532.44 | C24H22F6N2O5 | ACID | Details |
B145412 | CHEMBL81208 | Small molecule | -- | 443.5 | C27H25NO5 | ACID | Details |
B145414 | CHEMBL81248 | Small molecule | -- | 457.53 | C28H27NO5 | ACID | Details |
B145421 | CHEMBL8145 | Small molecule | DAIDZEIN | 254.24 | C15H10O4 | ACID | Details |
B145423 | CHEMBL81592 | Small molecule | -- | 457.53 | C28H27NO5 | ACID | Details |
B145426 | CHEMBL81676 | Small molecule | -- | 533.62 | C34H31NO5 | ACID | Details |
B145437 | CHEMBL82034 | Small molecule | -- | 457.53 | C28H27NO5 | ACID | Details |
B145441 | CHEMBL82193 | Small molecule | -- | 499.61 | C31H33NO5 | ACID | Details |
B145445 | CHEMBL82293 | Small molecule | PALMITIC ACID | 256.43 | C16H32O2 | ACID | Details |
B145451 | CHEMBL82602 | Small molecule | -- | 463.56 | C26H25NO5S | ACID | Details |
B145466 | CHEMBL83154 | Small molecule | 2-AMINOANTHRACENE | 193.25 | C14H11N | NEUTRAL | Details |
B145469 | CHEMBL8320 | Small molecule | BENZOQUINONE | 108.1 | C6H4O2 | None | Details |
B145523 | CHEMBL852 | Small molecule | MELPHALAN | 305.21 | C13H18Cl2N2O2 | ZWITTERION | Details |
B145529 | CHEMBL85811 | Small molecule | -- | 216.24 | C12H12N2O2 | NEUTRAL | Details |
B145540 | CHEMBL8659 | Small molecule | OLEIC ACID | 282.47 | C18H34O2 | ACID | Details |
B145542 | CHEMBL86657 | Small molecule | -- | 405.49 | C25H27NO4 | ACID | Details |
B145543 | CHEMBL86658 | Small molecule | -- | 403.48 | C25H25NO4 | ACID | Details |
B145544 | CHEMBL86688 | Small molecule | -- | 481.39 | C26H25BrO4 | ACID | Details |
B145548 | CHEMBL86817 | Small molecule | -- | 534.61 | C34H30O6 | ACID | Details |
B145560 | CHEMBL87307 | Small molecule | -- | 560.28 | C26H24Br2O4 | ACID | Details |
B145561 | CHEMBL87380 | Small molecule | -- | 430.54 | C28H30O4 | ACID | Details |
B145562 | CHEMBL8739 | Small molecule | LINOLENIC ACID | 278.44 | C18H30O2 | ACID | Details |
B145569 | CHEMBL87928 | Small molecule | -- | 468.55 | C30H28O5 | ACID | Details |
B145598 | CHEMBL88917 | Small molecule | -- | 289.36 | C14H15N3O2S | ACID | Details |
B145608 | CHEMBL89152 | Small molecule | -- | 481.39 | C26H25BrO4 | ACID | Details |
B145629 | CHEMBL89996 | Small molecule | -- | 468.55 | C30H28O5 | ACID | Details |
B145657 | CHEMBL90568 | Small molecule | DIOSMETIN | 300.27 | C16H12O6 | NEUTRAL | Details |
B145728 | CHEMBL92130 | Small molecule | -- | 507.61 | C28H29NO6S | ACID | Details |
B145768 | CHEMBL935 | Small molecule | PENTAMIDINE ISETHIONATE | 466.56 | C21H30N4O6S | BASE | Details |
B145769 | CHEMBL9352 | Small molecule | NARINGENIN | 272.26 | C15H12O5 | NEUTRAL | Details |
B145796 | CHEMBL94306 | Small molecule | -- | 477.58 | C27H27NO5S | ACID | Details |
B145798 | CHEMBL94397 | Small molecule | -- | 493.58 | C27H27NO6S | ACID | Details |
B145799 | CHEMBL94496 | Small molecule | -- | 519.66 | C30H33NO5S | ACID | Details |
B145803 | CHEMBL94716 | Small molecule | -- | 533.69 | C31H35NO5S | ACID | Details |
B145825 | CHEMBL96107 | Small molecule | -- | 435.5 | C24H21NO5S | ACID | Details |
B145826 | CHEMBL96143 | Small molecule | -- | 509.6 | C28H28FNO5S | ACID | Details |
B145835 | CHEMBL96451 | Small molecule | -- | 495.57 | C27H26FNO5S | ACID | Details |
B145839 | CHEMBL96758 | Small molecule | -- | 553.68 | C33H31NO5S | ACID | Details |
B145847 | CHEMBL97529 | Small molecule | -- | 545.7 | C32H35NO5S | ACID | Details |
B145857 | CHEMBL981 | Small molecule | FENOFIBRIC ACID | 318.76 | C17H15ClO4 | ACID | Details |
B145865 | CHEMBL985 | Small molecule | UREA | 60.06 | CH4N2O | NEUTRAL | Details |
B145867 | CHEMBL986 | Small molecule | RETINOL | 286.46 | C20H30O | NEUTRAL | Details |