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 | |
|---|---|---|---|---|---|---|---|
| B141501 | CHEMBL4787910 | -- | -- | 5257.98 | C239H364N54O75S2 | None | Details |
| B141502 | CHEMBL4788024 | -- | -- | 370.38 | C15H9F3N2O2S2 | ACID | Details |
| B141503 | CHEMBL4788056 | -- | -- | 5054.78 | C231H351N53O70S2 | None | Details |
| B141504 | CHEMBL4788206 | -- | -- | 576.66 | C34H35F3N2O3 | ZWITTERION | Details |
| B141505 | CHEMBL4788239 | -- | -- | 293.84 | C16H24ClN3 | NEUTRAL | Details |
| B141506 | CHEMBL4788368 | -- | -- | 3549.95 | C157H234N38O52S2 | None | Details |
| B141507 | CHEMBL4788440 | -- | -- | 6126.97 | C284H420N62O85S2 | None | Details |
| B141508 | CHEMBL4788468 | -- | -- | 4942.62 | C219H343N57O69S2 | None | Details |
| B141509 | CHEMBL4788510 | -- | -- | 4270.68 | C188H278N46O64S2 | None | Details |
| B141510 | CHEMBL4788565 | -- | -- | 312.39 | C17H16N2O2S | ACID | Details |
| B141511 | CHEMBL4788686 | -- | -- | 386.38 | C15H9F3N2O3S2 | ACID | Details |
| B141512 | CHEMBL4788737 | -- | -- | 3475.96 | C156H236N38O48S2 | None | Details |
| B141513 | CHEMBL4788783 | -- | -- | 4925.72 | C221H352N58O65S2 | None | Details |
| B141514 | CHEMBL4788886 | -- | -- | 320.37 | C14H9FN2O2S2 | ACID | Details |
| B141515 | CHEMBL478889 | Small molecule | -- | 1060.6 | C59H58ClN7O10 | None | Details |
| B141516 | CHEMBL4788892 | -- | -- | 517.67 | C25H31N3O5S2 | ACID | Details |
| B141517 | CHEMBL4788912 | -- | -- | 354.42 | C17H22N8O | NEUTRAL | Details |
| B141518 | CHEMBL478897 | Small molecule | -- | 450.4 | C23H18N2O8 | NEUTRAL | Details |
| B141519 | CHEMBL4789048 | -- | -- | 437.91 | C23H21ClFN5O | NEUTRAL | Details |
| B141520 | CHEMBL4789165 | -- | -- | 283.78 | C14H19ClFN3 | NEUTRAL | Details |
| B141521 | CHEMBL4789269 | -- | -- | 361.67 | C17H14BrClN2 | NEUTRAL | Details |
| B141522 | CHEMBL4789282 | -- | -- | 428.49 | C26H24N2O4 | ACID | Details |
| B141523 | CHEMBL4789350 | -- | -- | 310.4 | C19H22N2O2 | NEUTRAL | Details |
| B141524 | CHEMBL4789419 | -- | -- | 3491.91 | C155H232N38O50S2 | None | Details |
| B141525 | CHEMBL4789439 | -- | -- | 433.46 | C24H23N3O5 | ACID | Details |
| B141526 | CHEMBL4789469 | -- | -- | 455.88 | C21H19ClFN7O2 | NEUTRAL | Details |
| B141527 | CHEMBL4789579 | -- | -- | 391.37 | C19H19F2N3O4 | NEUTRAL | Details |
| B141528 | CHEMBL4789658 | -- | -- | 454.88 | C22H24ClFO7 | NEUTRAL | Details |
| B141529 | CHEMBL4789685 | -- | -- | 348.47 | C15H12N2O2S3 | ACID | Details |
| B141530 | CHEMBL4789687 | -- | -- | 375.38 | C21H17N3O4 | ACID | Details |
| B141531 | CHEMBL478969 | Small molecule | LYSOPHOSPHATIDYLCHOLINE | 535.7 | C27H54NO7P | ACID | Details |
| B141532 | CHEMBL478971 | Small molecule | MUCRONULATOL(+/-) | 302.33 | C17H18O5 | NEUTRAL | Details |
| B141533 | CHEMBL4789773 | -- | -- | 4103.59 | C191H285N39O61 | None | Details |
| B141534 | CHEMBL478980 | Small molecule | -- | 283.33 | C17H17NO3 | NEUTRAL | Details |
| B141535 | CHEMBL4789946 | -- | -- | 299.41 | C19H25NO2 | ACID | Details |
| B141536 | CHEMBL478996 | Small molecule | -- | 597.75 | C36H41F2N5O | BASE | Details |
| B141537 | CHEMBL4789973 | -- | -- | 402.49 | C25H26N2O3 | NEUTRAL | Details |
| B141538 | CHEMBL479 | Small molecule | THIORIDAZINE | 370.59 | C21H26N2S2 | BASE | Details |
| B141539 | CHEMBL479001 | Small molecule | -- | 361.45 | C22H23N3O2 | ACID | Details |
| B141540 | CHEMBL479002 | Small molecule | -- | 412.49 | C26H24N2O3 | ACID | Details |
| B141541 | CHEMBL479009 | Small molecule | -- | 290.27 | C15H14O6 | ACID | Details |
| B141542 | CHEMBL4790208 | -- | -- | 495.67 | C27H41N7O2 | BASE | Details |
| B141543 | CHEMBL4790245 | -- | -- | 402.81 | C15H13ClF2N4O3S | NEUTRAL | Details |
| B141544 | CHEMBL4790262 | -- | -- | 515.67 | C28H46NNaO6 | ACID | Details |
| B141545 | CHEMBL4790263 | -- | -- | 364.4 | C18H24N2O6 | NEUTRAL | Details |
| B141546 | CHEMBL4790305 | -- | -- | 442.52 | C27H26N2O4 | NEUTRAL | Details |
| B141547 | CHEMBL4790350 | -- | -- | 450.95 | C25H24ClFN4O | NEUTRAL | Details |
| B141548 | CHEMBL4790836 | -- | -- | 391.37 | C19H19F2N3O4 | NEUTRAL | Details |
| B141549 | CHEMBL4790878 | -- | -- | 372.47 | C24H24N2O2 | NEUTRAL | Details |
| B141550 | CHEMBL4790921 | -- | -- | 498.65 | C30H30N2O3S | ACID | Details |
| B141551 | CHEMBL4791034 | -- | -- | 361.43 | C18H15N7S | NEUTRAL | Details |
| B141552 | CHEMBL4791268 | -- | -- | 283.78 | C14H19ClFN3 | NEUTRAL | Details |
| B141553 | CHEMBL4791407 | -- | -- | 433.31 | C19H21BrN4O3 | NEUTRAL | Details |
| B141554 | CHEMBL4791413 | -- | -- | 609.57 | C28H24F5N3O5S | ACID | Details |
| B141555 | CHEMBL4791522 | -- | -- | 590.43 | C23H16Cl2F3N3O4S2 | NEUTRAL | Details |
| B141556 | CHEMBL4791572 | -- | -- | 582.44 | C24H22Cl2FN5O5S | NEUTRAL | Details |
| B141557 | CHEMBL4791676 | -- | -- | 378.43 | C19H26N2O6 | NEUTRAL | Details |
| B141558 | CHEMBL4791775 | -- | -- | 5858.73 | C273H424N60O82 | None | Details |
| B141559 | CHEMBL4791842 | -- | -- | 493.65 | C33H35NO3 | ZWITTERION | Details |
| B141560 | CHEMBL479187 | Small molecule | -- | 430.55 | C21H22N2O4S2 | NEUTRAL | Details |
| B141561 | CHEMBL4791913 | -- | -- | 543.57 | C27H24F3N3O4S | ACID | Details |
| B141562 | CHEMBL4791989 | -- | -- | 495.58 | C29H29N5O3 | NEUTRAL | Details |
| B141563 | CHEMBL4792002 | -- | -- | 396.78 | C17H15ClF2N4O3 | NEUTRAL | Details |
| B141564 | CHEMBL4792027 | -- | -- | 491.63 | C33H33NO3 | ZWITTERION | Details |
| B141565 | CHEMBL479207 | Small molecule | -- | 452.6 | C27H36N2O4 | ACID | Details |
| B141566 | CHEMBL4792075 | -- | -- | 481.59 | C31H31NO4 | ACID | Details |
| B141567 | CHEMBL4792109 | -- | -- | 390.45 | C20H22N8O | NEUTRAL | Details |
| B141568 | CHEMBL4792269 | -- | -- | 4881.43 | C225H336N48O73 | None | Details |
| B141569 | CHEMBL4792416 | -- | -- | 327.42 | C20H25NO3 | ACID | Details |
| B141570 | CHEMBL4792439 | -- | -- | 359.36 | C17H18FN5O3 | NEUTRAL | Details |
| B141571 | CHEMBL4792461 | -- | -- | 366.43 | C18H22N8O | NEUTRAL | Details |
| B141572 | CHEMBL4792474 | -- | -- | 341.89 | C20H24ClN3 | NEUTRAL | Details |
| B141573 | CHEMBL4792495 | -- | -- | 508.62 | C31H32N4O3 | NEUTRAL | Details |
| B141574 | CHEMBL4792541 | -- | -- | 308.41 | C12H8N2O2S3 | ACID | Details |
| B141575 | CHEMBL4792594 | -- | -- | 5553.36 | C256H401N59O78 | None | Details |
| B141576 | CHEMBL4792700 | -- | -- | 3476.89 | C152H235N37O52S2 | None | Details |
| B141577 | CHEMBL4792723 | -- | -- | 449.51 | C28H23N3O3 | ACID | Details |
| B141578 | CHEMBL4792740 | -- | -- | 393.81 | C17H17ClFN5O3 | NEUTRAL | Details |
| B141579 | CHEMBL4792768 | -- | -- | 295.81 | C15H22ClN3O | NEUTRAL | Details |
| B141580 | CHEMBL4792982 | -- | -- | 379.36 | C17H12F3N3O2S | NEUTRAL | Details |
| B141581 | CHEMBL4793073 | -- | -- | 506.03 | C28H29ClFN5O | NEUTRAL | Details |
| B141582 | CHEMBL4793115 | -- | -- | 350.37 | C17H22N2O6 | NEUTRAL | Details |
| B141583 | CHEMBL4793148 | -- | -- | 602.42 | C25H20Cl2F3N3O5S | NEUTRAL | Details |
| B141584 | CHEMBL4793166 | -- | -- | 485.97 | C24H28ClN5O4 | NEUTRAL | Details |
| B141585 | CHEMBL4793175 | -- | -- | 4941.68 | C220H348N58O67S2 | None | Details |
| B141586 | CHEMBL4793371 | -- | -- | 505.66 | C34H35NO3 | ZWITTERION | Details |
| B141587 | CHEMBL4793380 | -- | -- | 423.48 | C21H25N7O3 | NEUTRAL | Details |
| B141588 | CHEMBL4793441 | -- | -- | 551.59 | C29H31F2N5O4 | NEUTRAL | Details |
| B141589 | CHEMBL4793451 | -- | -- | 429.49 | C21H32FNO7 | ZWITTERION | Details |
| B141590 | CHEMBL4793476 | -- | -- | 524.62 | C31H32N4O4 | NEUTRAL | Details |
| B141591 | CHEMBL4793547 | -- | -- | 486.96 | C24H27ClN4O5 | NEUTRAL | Details |
| B141592 | CHEMBL4793549 | -- | -- | 395.3 | C17H23BrN4O2 | BASE | Details |
| B141593 | CHEMBL4793557 | -- | -- | 365.77 | C17H14ClF2N3O2 | NEUTRAL | Details |
| B141594 | CHEMBL4793603 | -- | -- | 359.81 | C18H18ClN3O3 | NEUTRAL | Details |
| B141595 | CHEMBL4793618 | -- | -- | 4101.62 | C192H287N39O60 | None | Details |
| B141596 | CHEMBL4793621 | -- | -- | 382.34 | C17H17F3N4O3 | ACID | Details |
| B141597 | CHEMBL4793674 | -- | -- | 445.9 | C22H24ClN3O5 | NEUTRAL | Details |
| B141598 | CHEMBL479368 | Small molecule | -- | 367.23 | C17H16Cl2N2O3 | NEUTRAL | Details |
| B141599 | CHEMBL4793685 | -- | -- | 205.26 | C15H11N | NEUTRAL | Details |
| B141600 | CHEMBL4793795 | -- | -- | 332.41 | C15H12N2O3S2 | ACID | Details |