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.
stats1
stats2
147604 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B140001 | CHEMBL4581915 | -- | -- | 576.32 | C22H21Cl2F6N3O4 | BASE | Details |
| B140002 | CHEMBL458221 | Small molecule | -- | 461.51 | C27H27NO6 | NEUTRAL | Details |
| B140003 | CHEMBL4582216 | -- | -- | 509.05 | C24H30ClFN4O3S | BASE | Details |
| B140004 | CHEMBL4582290 | -- | -- | 601.71 | C36H35N5O4 | NEUTRAL | Details |
| B140005 | CHEMBL4582294 | -- | -- | 621.75 | C38H40FN3O4 | ACID | Details |
| B140006 | CHEMBL4582398 | -- | -- | 437.93 | C23H24ClN5O2 | NEUTRAL | Details |
| B140007 | CHEMBL4582683 | -- | -- | 240.28 | C15H13FN2 | BASE | Details |
| B140008 | CHEMBL4582724 | -- | -- | 459.58 | C26H37NO6 | NEUTRAL | Details |
| B140009 | CHEMBL4582862 | -- | -- | 377.4 | C18H23N3O6 | NEUTRAL | Details |
| B140010 | CHEMBL4582950 | -- | -- | 414.9 | C20H23ClN6O2 | NEUTRAL | Details |
| B140011 | CHEMBL4583140 | -- | -- | 375.41 | C21H18FN5O | ACID | Details |
| B140012 | CHEMBL4583284 | -- | -- | 954.14 | C45H71N13O10 | ZWITTERION | Details |
| B140013 | CHEMBL458351 | Small molecule | -- | 494.68 | C32H38N4O | BASE | Details |
| B140014 | CHEMBL4583846 | -- | -- | 393.44 | C22H23N3O4 | NEUTRAL | Details |
| B140015 | CHEMBL4583953 | -- | -- | 268.36 | C18H20O2 | ACID | Details |
| B140016 | CHEMBL4584113 | -- | -- | 558.46 | C20H20F6N4O6S | BASE | Details |
| B140017 | CHEMBL4584147 | -- | -- | 444.0 | C18H18ClNO4S3 | NEUTRAL | Details |
| B140018 | CHEMBL4584238 | -- | -- | 248.32 | C15H20O3 | NEUTRAL | Details |
| B140019 | CHEMBL458444 | Small molecule | -- | 361.4 | C18H23N3O5 | NEUTRAL | Details |
| B140020 | CHEMBL458445 | Small molecule | -- | 372.42 | C20H24N2O5 | NEUTRAL | Details |
| B140021 | CHEMBL4584650 | -- | -- | 273.34 | C18H15N3 | BASE | Details |
| B140022 | CHEMBL4584769 | -- | -- | 366.81 | C16H19ClN4O4 | ACID | Details |
| B140023 | CHEMBL4584859 | -- | -- | 511.81 | C15H16Cl3F3N4O2S2 | NEUTRAL | Details |
| B140024 | CHEMBL4584872 | -- | -- | 343.31 | C18H14FNO5 | ACID | Details |
| B140025 | CHEMBL458489 | Small molecule | -- | 566.58 | C26H30O12S | NEUTRAL | Details |
| B140026 | CHEMBL4584981 | -- | NVS-MALT1-C | 574.03 | C24H27ClF3N5O4S | NEUTRAL | Details |
| B140027 | CHEMBL4585138 | -- | -- | 340.86 | C14H13ClN2O2S2 | NEUTRAL | Details |
| B140028 | CHEMBL4585144 | -- | -- | 468.38 | C26H23Cl2NO3 | NEUTRAL | Details |
| B140029 | CHEMBL4585243 | -- | BAY-7598 | 505.57 | C28H31N3O6 | ACID | Details |
| B140030 | CHEMBL4585668 | Small molecule | BELZUTIFAN | 383.35 | C17H12F3NO4S | NEUTRAL | Details |
| B140031 | CHEMBL4585712 | -- | -- | 437.44 | C21H18F3NO4S | ACID | Details |
| B140032 | CHEMBL4585920 | -- | TP-020n | 520.95 | C22H19ClF2N6O3S | NEUTRAL | Details |
| B140033 | CHEMBL458603 | Small molecule | -- | 436.75 | C19H12Cl3N3OS | NEUTRAL | Details |
| B140034 | CHEMBL4586093 | -- | -- | 496.53 | C28H27F3N2O3 | NEUTRAL | Details |
| B140035 | CHEMBL4586111 | -- | -- | 254.34 | C10H10N2O2S2 | NEUTRAL | Details |
| B140036 | CHEMBL458612 | Small molecule | -- | 257.32 | C13H11N3OS | NEUTRAL | Details |
| B140037 | CHEMBL4586209 | -- | -- | 463.99 | C22H26ClN3O4S | ZWITTERION | Details |
| B140038 | CHEMBL4586284 | -- | -- | 424.93 | C18H17ClN2O4S2 | NEUTRAL | Details |
| B140039 | CHEMBL4586331 | -- | -- | 367.41 | C22H17N5O | NEUTRAL | Details |
| B140040 | CHEMBL4586472 | -- | -- | 428.47 | C24H21FN6O | NEUTRAL | Details |
| B140041 | CHEMBL458648 | Small molecule | -- | 435.43 | C24H21NO7 | NEUTRAL | Details |
| B140042 | CHEMBL4586557 | -- | -- | 414.6 | C22H26N2O2S2 | ACID | Details |
| B140043 | CHEMBL4586563 | -- | -- | 502.57 | C28H30N4O5 | ACID | Details |
| B140044 | CHEMBL4586785 | -- | -- | 481.35 | C19H17F6N3O5 | BASE | Details |
| B140045 | CHEMBL4586794 | -- | ABT-100 | 504.47 | C27H19F3N4O3 | NEUTRAL | Details |
| B140046 | CHEMBL4587081 | -- | -- | 395.47 | C24H21N5O | NEUTRAL | Details |
| B140047 | CHEMBL4587129 | -- | -- | 402.45 | C23H22N4O3 | NEUTRAL | Details |
| B140048 | CHEMBL4587145 | -- | -- | 432.83 | C18H20ClF3N4O3 | NEUTRAL | Details |
| B140049 | CHEMBL4587310 | -- | -- | 381.44 | C23H19N5O | NEUTRAL | Details |
| B140050 | CHEMBL4587390 | -- | -- | 350.81 | C16H19ClN4O3 | NEUTRAL | Details |
| B140051 | CHEMBL458741 | Small molecule | -- | 408.5 | C24H28N2O4 | NEUTRAL | Details |
| B140052 | CHEMBL4587414 | -- | -- | 204.27 | C12H16N2O | NEUTRAL | Details |
| B140053 | CHEMBL4587415 | -- | -- | 444.84 | C19H20ClF3N4O3 | BASE | Details |
| B140054 | CHEMBL4587456 | -- | -- | 607.67 | C34H36F3N3O4 | ACID | Details |
| B140055 | CHEMBL4587533 | -- | -- | 430.3 | C21H20BrNO4 | ACID | Details |
| B140056 | CHEMBL4587577 | -- | -- | 385.47 | C24H23N3O2 | ACID | Details |
| B140057 | CHEMBL4587595 | -- | -- | 296.85 | C10H17ClN2O2S2 | NEUTRAL | Details |
| B140058 | CHEMBL4587597 | -- | -- | 449.35 | C24H21BrN2O2 | ACID | Details |
| B140059 | CHEMBL458767 | Small molecule | -- | 504.54 | C24H42O7P2 | NEUTRAL | Details |
| B140060 | CHEMBL4587738 | -- | -- | 369.86 | C19H20ClN5O | NEUTRAL | Details |
| B140061 | CHEMBL4587804 | -- | -- | 472.85 | C24H16ClF3N2O3 | ACID | Details |
| B140062 | CHEMBL458784 | Small molecule | -- | 382.42 | C18H23O5PS | ACID | Details |
| B140063 | CHEMBL4587922 | -- | -- | 352.84 | C16H17ClN2O3S | NEUTRAL | Details |
| B140064 | CHEMBL4587941 | -- | -- | 421.46 | C22H23N5O4 | NEUTRAL | Details |
| B140065 | CHEMBL4588111 | -- | -- | 303.75 | C14H14ClN5O | NEUTRAL | Details |
| B140066 | CHEMBL4588244 | -- | -- | 743.57 | C32H32Cl2O14S | NEUTRAL | Details |
| B140067 | CHEMBL4588368 | -- | -- | 538.73 | C36H42O4 | NEUTRAL | Details |
| B140068 | CHEMBL4588454 | -- | -- | 956.07 | C43H65N13O12 | ZWITTERION | Details |
| B140069 | CHEMBL4588543 | -- | -- | 412.57 | C26H36O4 | NEUTRAL | Details |
| B140070 | CHEMBL4588649 | -- | -- | 411.89 | C22H22ClN3O3 | NEUTRAL | Details |
| B140071 | CHEMBL458866 | Small molecule | -- | 437.45 | C24H23NO7 | NEUTRAL | Details |
| B140072 | CHEMBL458867 | Small molecule | -- | 435.43 | C24H21NO7 | NEUTRAL | Details |
| B140073 | CHEMBL4588688 | -- | -- | 541.69 | C29H36FN3O4S | ACID | Details |
| B140074 | CHEMBL4588693 | -- | -- | 366.39 | C21H19FN2O3 | NEUTRAL | Details |
| B140075 | CHEMBL4588734 | -- | -- | 585.65 | C31H37F2N3O6 | ACID | Details |
| B140076 | CHEMBL4588863 | -- | -- | 512.39 | C27H23Cl2NO5 | ACID | Details |
| B140077 | CHEMBL4588900 | -- | BI 1230 | 816.98 | C42H52N6O9S | ACID | Details |
| B140078 | CHEMBL458891 | Small molecule | -- | 474.56 | C28H30N2O5 | NEUTRAL | Details |
| B140079 | CHEMBL4588919 | -- | -- | 372.51 | C23H32O4 | NEUTRAL | Details |
| B140080 | CHEMBL4588942 | -- | -- | 225.09 | C9H9BrN2 | BASE | Details |
| B140081 | CHEMBL4588946 | -- | -- | 742.88 | C34H54N12O7 | BASE | Details |
| B140082 | CHEMBL458899 | Small molecule | -- | 494.54 | C25H34O10 | NEUTRAL | Details |
| B140083 | CHEMBL4589045 | -- | -- | 4586.1 | C202H307N51O67S2 | None | Details |
| B140084 | CHEMBL4589214 | -- | -- | 301.34 | C13H14F3N3S | NEUTRAL | Details |
| B140085 | CHEMBL4589351 | -- | -- | 359.39 | C20H17N5O2 | NEUTRAL | Details |
| B140086 | CHEMBL4589442 | -- | -- | 457.88 | C21H23ClF3N3O3 | BASE | Details |
| B140087 | CHEMBL4589453 | -- | -- | 530.63 | C30H34N4O5 | ACID | Details |
| B140088 | CHEMBL4589671 | -- | -- | 153.21 | C7H7NOS | NEUTRAL | Details |
| B140089 | CHEMBL4589802 | -- | -- | 550.49 | C28H21F3N4O5 | ACID | Details |
| B140090 | CHEMBL459 | Small molecule | METHYLDOPA | 211.22 | C10H13NO4 | ZWITTERION | Details |
| B140091 | CHEMBL4590068 | -- | -- | 365.43 | C21H23N3O3 | ACID | Details |
| B140092 | CHEMBL459008 | Small molecule | BUTYLPARABEN | 194.23 | C11H14O3 | NEUTRAL | Details |
| B140093 | CHEMBL459020 | Small molecule | -- | 308.33 | C16H20O6 | NEUTRAL | Details |
| B140094 | CHEMBL4590201 | -- | -- | 342.37 | C19H19FN2O3 | NEUTRAL | Details |
| B140095 | CHEMBL4590213 | -- | -- | 367.25 | C14H11F6N3O2 | BASE | Details |
| B140096 | CHEMBL4590255 | -- | -- | 483.37 | C23H23BrN4O3 | NEUTRAL | Details |
| B140097 | CHEMBL4590290 | -- | -- | 353.36 | C18H16FN5O2 | NEUTRAL | Details |
| B140098 | CHEMBL4590296 | -- | -- | 440.85 | C20H20ClF3N4O2 | BASE | Details |
| B140099 | CHEMBL4590381 | -- | -- | 946.08 | C45H63N13O10 | ZWITTERION | Details |
| B140100 | CHEMBL4590573 | -- | -- | 148.17 | C7H8N4 | NEUTRAL | Details |