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 | |
|---|---|---|---|---|---|---|---|
| B138901 | CHEMBL4474757 | -- | -- | 331.81 | C16H18ClN5O | NEUTRAL | Details |
| B138902 | CHEMBL4474815 | -- | -- | 435.81 | C18H18ClF4N3O3 | BASE | Details |
| B138903 | CHEMBL4474852 | -- | -- | 390.84 | C16H19ClN8O2 | NEUTRAL | Details |
| B138904 | CHEMBL4474870 | -- | -- | 527.66 | C28H34FN3O4S | ACID | Details |
| B138905 | CHEMBL4475001 | -- | -- | 458.95 | C22H20ClFN4O2S | NEUTRAL | Details |
| B138906 | CHEMBL4475061 | -- | -- | 443.5 | C26H25N3O4 | NEUTRAL | Details |
| B138907 | CHEMBL4475097 | -- | -- | 437.09 | C16H11Br2N3O2 | NEUTRAL | Details |
| B138908 | CHEMBL4475190 | -- | -- | 471.34 | C20H15BrN4O3S | ACID | Details |
| B138909 | CHEMBL4475287 | -- | -- | 250.29 | C14H18O4 | NEUTRAL | Details |
| B138910 | CHEMBL447533 | Small molecule | -- | 373.45 | C21H27NO5 | ACID | Details |
| B138911 | CHEMBL447538 | Small molecule | -- | 498.94 | C21H14ClF3N2O3S2 | ACID | Details |
| B138912 | CHEMBL4475389 | -- | -- | 351.81 | C18H19ClFNO3 | NEUTRAL | Details |
| B138913 | CHEMBL4475517 | -- | -- | 562.79 | C33H54O7 | NEUTRAL | Details |
| B138914 | CHEMBL4475557 | -- | -- | 477.76 | C21H11ClF7NO2 | NEUTRAL | Details |
| B138915 | CHEMBL4475667 | -- | -- | 415.46 | C22H21N7O2 | NEUTRAL | Details |
| B138916 | CHEMBL4475714 | -- | -- | 386.54 | C20H22N2O2S2 | NEUTRAL | Details |
| B138917 | CHEMBL4475797 | -- | -- | 503.57 | C29H30FN3O4 | ACID | Details |
| B138918 | CHEMBL4475931 | -- | -- | 456.29 | C18H22BrN3O6 | NEUTRAL | Details |
| B138919 | CHEMBL4476019 | -- | -- | 343.81 | C18H18ClN3O2 | ACID | Details |
| B138920 | CHEMBL4476047 | -- | -- | 453.5 | C24H27N3O6 | NEUTRAL | Details |
| B138921 | CHEMBL4476161 | -- | -- | 607.76 | C36H41N5O4 | NEUTRAL | Details |
| B138922 | CHEMBL4476176 | -- | -- | 402.47 | C20H22N2O5S | NEUTRAL | Details |
| B138923 | CHEMBL4476319 | -- | -- | 541.64 | C30H39NO8 | NEUTRAL | Details |
| B138924 | CHEMBL4476340 | -- | -- | 471.86 | C16H21Cl3N4O2S2 | NEUTRAL | Details |
| B138925 | CHEMBL4476422 | -- | -- | 383.84 | C19H18ClN5O2 | NEUTRAL | Details |
| B138926 | CHEMBL4476449 | -- | -- | 362.27 | C17H12F6O2 | ACID | Details |
| B138927 | CHEMBL4476515 | -- | -- | 425.51 | C23H23NO5S | NEUTRAL | Details |
| B138928 | CHEMBL4476551 | -- | -- | 317.78 | C15H16ClN5O | NEUTRAL | Details |
| B138929 | CHEMBL4476616 | -- | -- | 427.89 | C22H22ClN3O4 | NEUTRAL | Details |
| B138930 | CHEMBL4476621 | -- | -- | 356.23 | C14H11Cl2N3O2S | NEUTRAL | Details |
| B138931 | CHEMBL4476776 | -- | -- | 310.27 | C12H25Cl2N5 | BASE | Details |
| B138932 | CHEMBL4476782 | -- | -- | 430.27 | C21H17BrFNO3 | ACID | Details |
| B138933 | CHEMBL4476808 | -- | -- | 396.88 | C21H21ClN4O2 | NEUTRAL | Details |
| B138934 | CHEMBL447784 | Small molecule | -- | 475.54 | C29H27F2NO3 | NEUTRAL | Details |
| B138935 | CHEMBL447808 | Small molecule | -- | 616.84 | C34H54F2N6O2 | BASE | Details |
| B138936 | CHEMBL447876 | Small molecule | CAULIBUGULONE D | 218.21 | C11H10N2O3 | NEUTRAL | Details |
| B138937 | CHEMBL447937 | Small molecule | -- | 640.75 | C29H35F3N4O5S2 | NEUTRAL | Details |
| B138938 | CHEMBL447975 | Small molecule | -- | 912.44 | C52H50ClN3O10 | ACID | Details |
| B138939 | CHEMBL447997 | Small molecule | -- | 229.24 | C13H11NO3 | NEUTRAL | Details |
| B138940 | CHEMBL448114 | Small molecule | DOLASTATIN 12 | 969.23 | C50H80N8O11 | NEUTRAL | Details |
| B138941 | CHEMBL44814 | Small molecule | CARBON TETRACHLORIDE | 153.82 | CCl4 | None | Details |
| B138942 | CHEMBL448153 | Small molecule | -- | 455.25 | C20H16Cl2O8 | ACID | Details |
| B138943 | CHEMBL448191 | Small molecule | -- | 1488.07 | C81H151N2O19P | None | Details |
| B138944 | CHEMBL448199 | Small molecule | -- | 643.64 | C32H36Cl2N4O4S | NEUTRAL | Details |
| B138945 | CHEMBL448213 | Small molecule | LINURON | 249.1 | C9H10Cl2N2O2 | NEUTRAL | Details |
| B138946 | CHEMBL4482867 | -- | -- | 962.08 | C45H63N13O11 | ZWITTERION | Details |
| B138947 | CHEMBL4483327 | -- | -- | 486.36 | C24H24BrNO5 | ACID | Details |
| B138948 | CHEMBL4483328 | -- | -- | 342.75 | C15H16ClFN2O4 | NEUTRAL | Details |
| B138949 | CHEMBL4483332 | -- | -- | 109.13 | C5H7N3 | NEUTRAL | Details |
| B138950 | CHEMBL4483373 | -- | -- | 350.21 | C15H13Cl2N5O | NEUTRAL | Details |
| B138951 | CHEMBL4483378 | -- | -- | 449.04 | C22H25ClN2O2S2 | ACID | Details |
| B138952 | CHEMBL4483467 | -- | -- | 301.35 | C19H15N3O | BASE | Details |
| B138953 | CHEMBL4483488 | -- | -- | 196.64 | C9H9ClN2O | BASE | Details |
| B138954 | CHEMBL4483542 | -- | -- | 487.86 | C16H21Cl3N4O3S2 | NEUTRAL | Details |
| B138955 | CHEMBL4483575 | -- | -- | 507.54 | C27H27F2N5O3 | NEUTRAL | Details |
| B138956 | CHEMBL4483576 | -- | -- | 946.05 | C42H64FN13O11 | ZWITTERION | Details |
| B138957 | CHEMBL4483628 | -- | -- | 437.97 | C19H20ClN3O3S2 | NEUTRAL | Details |
| B138958 | CHEMBL4483715 | -- | -- | 511.42 | C25H27BrN4O3 | NEUTRAL | Details |
| B138959 | CHEMBL4483756 | -- | -- | 367.37 | C19H20F3NO3 | NEUTRAL | Details |
| B138960 | CHEMBL4483771 | -- | -- | 367.37 | C19H20F3NO3 | NEUTRAL | Details |
| B138961 | CHEMBL4483791 | -- | -- | 502.74 | C31H50O5 | NEUTRAL | Details |
| B138962 | CHEMBL4483796 | -- | -- | 366.85 | C20H19ClN4O | NEUTRAL | Details |
| B138963 | CHEMBL448462 | Small molecule | -- | 292.42 | C18H28O3 | ACID | Details |
| B138964 | CHEMBL448515 | Small molecule | 2,6-DIMETHOXYQUINONE | 168.15 | C8H8O4 | NEUTRAL | Details |
| B138965 | CHEMBL448567 | Small molecule | -- | 312.79 | C16H21ClO4 | ACID | Details |
| B138966 | CHEMBL448594 | Small molecule | Chloroquine-pyrolidinyl | 317.86 | C18H24ClN3 | BASE | Details |
| B138967 | CHEMBL448595 | Small molecule | -- | 378.41 | C20H27O5P | ACID | Details |
| B138968 | CHEMBL448610 | Small molecule | -- | 581.83 | C32H47N5O3S | BASE | Details |
| B138969 | CHEMBL448655 | Small molecule | -- | 774.07 | C41H43BClF2N3O7 | None | Details |
| B138970 | CHEMBL448750 | Small molecule | MICONIOSIDE A | 608.59 | C29H36O14 | NEUTRAL | Details |
| B138971 | CHEMBL44876 | Small molecule | -- | 415.49 | C21H29N5O4 | NEUTRAL | Details |
| B138972 | CHEMBL448790 | Small molecule | -- | 460.06 | C21H30ClNO4S2 | NEUTRAL | Details |
| B138973 | CHEMBL44884 | Small molecule | ETHAMBUTOL | 204.31 | C10H24N2O2 | BASE | Details |
| B138974 | CHEMBL448989 | Small molecule | -- | 627.79 | C30H40F3N3O4S2 | BASE | Details |
| B138975 | CHEMBL448996 | Small molecule | -- | 565.71 | C36H39NO5 | ACID | Details |
| B138976 | CHEMBL449045 | Small molecule | -- | 302.76 | C15H15ClN4O | NEUTRAL | Details |
| B138977 | CHEMBL449080 | Small molecule | -- | 788.1 | C42H45BClF2N3O7 | None | Details |
| B138978 | CHEMBL449099 | Small molecule | -- | 290.75 | C16H15ClO3 | ACID | Details |
| B138979 | CHEMBL449125 | Small molecule | -- | 591.58 | C33H36Cl2N4O2 | BASE | Details |
| B138980 | CHEMBL44914 | Small molecule | -- | 316.31 | C17H16O6 | NEUTRAL | Details |
| B138981 | CHEMBL449215 | Small molecule | -- | 238.33 | C13H22N2O2 | NEUTRAL | Details |
| B138982 | CHEMBL449278 | Small molecule | -- | 523.63 | C30H37NO7 | NEUTRAL | Details |
| B138983 | CHEMBL449327 | Small molecule | -- | 1077.16 | C54H52N4O16S2 | None | Details |
| B138984 | CHEMBL449354 | Small molecule | -- | 306.45 | C22H26O | None | Details |
| B138985 | CHEMBL449362 | Small molecule | DIBROMOACETIC ACID | 217.84 | C2H2Br2O2 | ACID | Details |
| B138986 | CHEMBL449603 | Small molecule | -- | 790.81 | C30H46O20S2 | NEUTRAL | Details |
| B138987 | CHEMBL449621 | Small molecule | -- | 595.87 | C35H57N5O3 | BASE | Details |
| B138988 | CHEMBL449672 | Small molecule | -- | 634.77 | C31H41F3N6O3S | BASE | Details |
| B138989 | CHEMBL449674 | Small molecule | -- | 757.83 | C37H42F3N5O7S | NEUTRAL | Details |
| B138990 | CHEMBL449690 | Small molecule | -- | 622.76 | C38H42N2O6 | NEUTRAL | Details |
| B138991 | CHEMBL449742 | Small molecule | DYKELLIC ACID | 248.28 | C14H16O4 | ACID | Details |
| B138992 | CHEMBL449758 | Small molecule | -- | 555.76 | C35H45N3O3 | ZWITTERION | Details |
| B138993 | CHEMBL449778 | Small molecule | -- | 795.24 | C44H39ClO12 | ACID | Details |
| B138994 | CHEMBL449782 | Small molecule | CEPHARANTHINE | 606.72 | C37H38N2O6 | NEUTRAL | Details |
| B138995 | CHEMBL449993 | Small molecule | -- | 254.33 | C14H22O4 | ACID | Details |
| B138996 | CHEMBL45 | Small molecule | MELATONIN | 232.28 | C13H16N2O2 | NEUTRAL | Details |
| B138997 | CHEMBL450013 | Small molecule | -- | 360.41 | C18H24N4O4 | NEUTRAL | Details |
| B138998 | CHEMBL450023 | Small molecule | -- | 336.4 | C19H20N4O2 | NEUTRAL | Details |
| B138999 | CHEMBL450044 | Small molecule | SERGLIFLOZIN ETABONATE | 448.47 | C23H28O9 | NEUTRAL | Details |
| B139000 | CHEMBL45005 | Small molecule | O-XYLENE | 106.17 | C8H10 | None | Details |