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 | |
|---|---|---|---|---|---|---|---|
| B002401 | CHEMBL1256715 | Small molecule | -- | 497.62 | C26H31N3O5S | BASE | Details |
| B002402 | CHEMBL1256719 | Small molecule | -- | 399.31 | C20H24Cl2O4 | ACID | Details |
| B002403 | CHEMBL1256720 | Small molecule | -- | 403.48 | C21H29N3O5 | BASE | Details |
| B002404 | CHEMBL1256726 | Small molecule | -- | 375.94 | C22H30ClNO2 | BASE | Details |
| B002405 | CHEMBL1256737 | Small molecule | METHIOTHEPIN MESYLATE | 452.67 | C21H28N2O3S3 | NEUTRAL | Details |
| B002406 | CHEMBL125674 | Small molecule | -- | 398.25 | C17H20BrNO5 | NEUTRAL | Details |
| B002407 | CHEMBL1256746 | Small molecule | -- | 290.45 | C19H30O2 | NEUTRAL | Details |
| B002408 | CHEMBL1256751 | Small molecule | -- | 394.34 | C21H25Cl2NO2 | NEUTRAL | Details |
| B002409 | CHEMBL1256761 | Small molecule | -- | 436.08 | C23H46ClNO4 | ACID | Details |
| B002410 | CHEMBL1256776 | Small molecule | -- | 398.42 | C21H22N2O6 | NEUTRAL | Details |
| B002411 | CHEMBL1256794 | Small molecule | QUIPAZINE MALEATE | 329.36 | C17H19N3O4 | BASE | Details |
| B002412 | CHEMBL1256805 | Small molecule | ACECAINIDE HYDROCHLORIDE | 313.83 | C15H24ClN3O2 | BASE | Details |
| B002413 | CHEMBL1256816 | Small molecule | -- | 415.49 | C23H29NO6 | BASE | Details |
| B002414 | CHEMBL1256818 | Small molecule | DEXTROMETHORPHAN HYDROBROMIDE | 370.33 | C18H28BrNO2 | BASE | Details |
| B002415 | CHEMBL1256839 | Small molecule | -- | 395.93 | C21H30ClNO4 | BASE | Details |
| B002416 | CHEMBL125687 | Small molecule | -- | 355.34 | C17H19F2NO5 | NEUTRAL | Details |
| B002417 | CHEMBL1256874 | Small molecule | -- | 450.5 | C24H26N4O5 | NEUTRAL | Details |
| B002418 | CHEMBL1256876 | Small molecule | -- | 365.9 | C20H28ClNO3 | BASE | Details |
| B002419 | CHEMBL1256878 | Small molecule | BENZAMIL HYDROCHLORIDE | 356.22 | C13H15Cl2N7O | NEUTRAL | Details |
| B002420 | CHEMBL1256913 | Small molecule | -- | 374.35 | C17H18N4O6 | BASE | Details |
| B002421 | CHEMBL1256916 | Small molecule | -- | 327.9 | C21H26ClN | BASE | Details |
| B002422 | CHEMBL1256917 | Small molecule | -- | 377.31 | C17H26Cl2N2O3 | BASE | Details |
| B002423 | CHEMBL1256940 | Small molecule | METHOXYVERAPAMIL HYDROCHLORIDE | 521.1 | C28H41ClN2O5 | BASE | Details |
| B002424 | CHEMBL1256958 | Small molecule | EPINEPHRINE BITARTRATE | 333.29 | C13H19NO9 | BASE | Details |
| B002425 | CHEMBL125697 | Small molecule | -- | 613.58 | C29H33BrN4O4S | NEUTRAL | Details |
| B002426 | CHEMBL1256971 | Small molecule | METAPHIT METHANESULFONATE | 396.58 | C19H28N2O3S2 | BASE | Details |
| B002427 | CHEMBL1256995 | Small molecule | -- | 470.99 | C23H26ClF3N2OS | NEUTRAL | Details |
| B002428 | CHEMBL1256998 | Small molecule | -- | 419.35 | C19H28Cl2N2O4 | BASE | Details |
| B002429 | CHEMBL1257003 | Small molecule | -- | 437.19 | C17H12INO5 | NEUTRAL | Details |
| B002430 | CHEMBL1257031 | Small molecule | -- | 345.79 | C17H19ClF3NO | BASE | Details |
| B002431 | CHEMBL1257039 | Small molecule | TRIFLUPERIDOL HYDROCHLORIDE | 445.88 | C22H24ClF4NO2 | NEUTRAL | Details |
| B002432 | CHEMBL1257065 | Small molecule | STILONIUM IODIDE | 451.39 | C22H30INO | NEUTRAL | Details |
| B002433 | CHEMBL1257069 | Small molecule | NAFTOPIDIL DIHYDROCHLORIDE | 428.96 | C24H29ClN2O3 | NEUTRAL | Details |
| B002434 | CHEMBL1257078 | Small molecule | -- | 403.01 | C24H35ClN2O | BASE | Details |
| B002435 | CHEMBL1257106 | Small molecule | AMPEROZIDE HYDROCHLORIDE | 437.96 | C23H30ClF2N3O | NEUTRAL | Details |
| B002436 | CHEMBL1257115 | Small molecule | ZIMELDINE HYDROCHLORIDE | 353.69 | C16H18BrClN2 | BASE | Details |
| B002437 | CHEMBL1257234 | Small molecule | -- | 283.33 | C17H17NO3 | NEUTRAL | Details |
| B002438 | CHEMBL125725 | Small molecule | -- | 536.66 | C27H32N6O4S | ACID | Details |
| B002439 | CHEMBL125728 | Small molecule | -- | 492.94 | C21H21ClN4O6S | ACID | Details |
| B002440 | CHEMBL1257282 | Small molecule | -- | 382.44 | C20H23FN6O | NEUTRAL | Details |
| B002441 | CHEMBL125760 | Small molecule | -- | 688.18 | C32H35ClFN5O7S | ACID | Details |
| B002442 | CHEMBL1257634 | Small molecule | -- | 381.38 | C14H18F3N3O4S | NEUTRAL | Details |
| B002443 | CHEMBL1257642 | Small molecule | NEOSMITILBIN | 450.4 | C21H22O11 | NEUTRAL | Details |
| B002444 | CHEMBL125766 | Small molecule | -- | 424.5 | C23H28N4O4 | ACID | Details |
| B002445 | CHEMBL125787 | Small molecule | -- | 359.22 | C17H15BrN2O2 | NEUTRAL | Details |
| B002446 | CHEMBL125801 | Small molecule | -- | 699.48 | C32H25Cl2FN4O9 | ACID | Details |
| B002447 | CHEMBL125813 | Small molecule | -- | 553.61 | C29H35N3O8 | ACID | Details |
| B002448 | CHEMBL125818 | Small molecule | -- | 524.63 | C29H32N8O2 | ACID | Details |
| B002449 | CHEMBL125832 | Small molecule | -- | 565.34 | C24H19Cl2FN4O7 | ACID | Details |
| B002450 | CHEMBL125835 | Small molecule | -- | 537.64 | C27H31N5O5S | NEUTRAL | Details |
| B002451 | CHEMBL125894 | Small molecule | -- | 461.54 | C25H23N3O4S | NEUTRAL | Details |
| B002452 | CHEMBL125895 | Small molecule | -- | 461.54 | C25H23N3O4S | NEUTRAL | Details |
| B002453 | CHEMBL125937 | Small molecule | -- | 424.5 | C23H28N4O4 | ACID | Details |
| B002454 | CHEMBL125940 | Small molecule | -- | 448.53 | C23H28N8O2 | ACID | Details |
| B002455 | CHEMBL125946 | Small molecule | -- | 595.46 | C25H24Cl2N4O7S | ACID | Details |
| B002456 | CHEMBL125958 | Small molecule | -- | 478.57 | C25H26N4O4S | NEUTRAL | Details |
| B002457 | CHEMBL126037 | Small molecule | -- | 464.55 | C24H24N4O4S | ACID | Details |
| B002458 | CHEMBL126077 | Small molecule | INDIRUBIN-3-MONOXIME | 277.28 | C16H11N3O2 | NEUTRAL | Details |
| B002459 | CHEMBL126085 | Small molecule | -- | 683.65 | C33H38N3O11P | ACID | Details |
| B002460 | CHEMBL1261 | Small molecule | CITRIC ACID | 192.12 | C6H8O7 | ACID | Details |
| B002461 | CHEMBL126111 | Small molecule | -- | 520.66 | C28H32N4O4S | ACID | Details |
| B002462 | CHEMBL126170 | Small molecule | -- | 532.65 | C29H36N6O4 | NEUTRAL | Details |
| B002463 | CHEMBL1262 | Small molecule | OXICONAZOLE | 429.13 | C18H13Cl4N3O | NEUTRAL | Details |
| B002464 | CHEMBL126246 | Small molecule | -- | 344.37 | C18H20N2O5 | NEUTRAL | Details |
| B002465 | CHEMBL126249 | Small molecule | -- | 354.79 | C16H19ClN2O5 | NEUTRAL | Details |
| B002466 | CHEMBL126254 | Small molecule | -- | 388.9 | C19H25ClN6O | NEUTRAL | Details |
| B002467 | CHEMBL126283 | Small molecule | -- | 334.37 | C17H22N2O5 | NEUTRAL | Details |
| B002468 | CHEMBL126353 | Small molecule | -- | 277.32 | C14H19N3O3 | NEUTRAL | Details |
| B002469 | CHEMBL126362 | Small molecule | -- | 643.56 | C29H30F5N3O8 | ACID | Details |
| B002470 | CHEMBL126415 | Small molecule | -- | 375.38 | C19H21NO7 | NEUTRAL | Details |
| B002471 | CHEMBL126434 | Small molecule | -- | 314.77 | C17H15ClN2O2 | NEUTRAL | Details |
| B002472 | CHEMBL126450 | Small molecule | -- | 294.74 | C14H15ClN2O3 | NEUTRAL | Details |
| B002473 | CHEMBL126511 | Small molecule | -- | 305.29 | C14H15N3O5 | NEUTRAL | Details |
| B002474 | CHEMBL126602 | Small molecule | -- | 249.27 | C16H11NO2 | NEUTRAL | Details |
| B002475 | CHEMBL126625 | Small molecule | -- | 252.27 | C16H12O3 | NEUTRAL | Details |
| B002476 | CHEMBL126646 | Small molecule | -- | 411.46 | C22H25N3O5 | NEUTRAL | Details |
| B002477 | CHEMBL126693 | Small molecule | -- | 521.34 | C21H14Cl2N4O6S | ACID | Details |
| B002478 | CHEMBL1267 | Small molecule | LERIGLITAZONE | 372.45 | C19H20N2O4S | NEUTRAL | Details |
| B002479 | CHEMBL126700 | Small molecule | -- | 281.32 | C15H15N5O | NEUTRAL | Details |
| B002480 | CHEMBL126755 | Small molecule | -- | 534.68 | C29H34N4O4S | ACID | Details |
| B002481 | CHEMBL126805 | Small molecule | -- | 411.46 | C22H25N3O5 | NEUTRAL | Details |
| B002482 | CHEMBL126806 | Small molecule | -- | 363.41 | C18H25N3O5 | NEUTRAL | Details |
| B002483 | CHEMBL126816 | Small molecule | -- | 275.31 | C14H17N3O3 | NEUTRAL | Details |
| B002484 | CHEMBL126817 | Small molecule | -- | 275.31 | C14H17N3O3 | NEUTRAL | Details |
| B002485 | CHEMBL126867 | Small molecule | -- | 277.32 | C14H19N3O3 | NEUTRAL | Details |
| B002486 | CHEMBL1269082 | Small molecule | -- | 270.32 | C13H10N4OS | NEUTRAL | Details |
| B002487 | CHEMBL126912 | Small molecule | -- | 291.3 | C15H17NO5 | ACID | Details |
| B002488 | CHEMBL1269255 | Small molecule | -- | 279.72 | C14H14ClNO3 | NEUTRAL | Details |
| B002489 | CHEMBL1269386 | Small molecule | -- | 608.23 | C29H38ClN3O5S2 | NEUTRAL | Details |
| B002490 | CHEMBL1269387 | Small molecule | -- | 619.21 | C29H35ClN4O5S2 | NEUTRAL | Details |
| B002491 | CHEMBL126945 | Small molecule | -- | 348.4 | C18H24N2O5 | BASE | Details |
| B002492 | CHEMBL1269632 | Small molecule | -- | 350.24 | C14H12BrN3OS | NEUTRAL | Details |
| B002493 | CHEMBL1269633 | Small molecule | -- | 282.73 | C16H11ClN2O | NEUTRAL | Details |
| B002494 | CHEMBL1269634 | Small molecule | -- | 282.73 | C16H11ClN2O | NEUTRAL | Details |
| B002495 | CHEMBL1269809 | Small molecule | BENZOPHENONE-THIOSEMICARBAZONE | 255.35 | C14H13N3S | NEUTRAL | Details |
| B002496 | CHEMBL1269811 | Small molecule | -- | 253.33 | C14H11N3S | NEUTRAL | Details |
| B002497 | CHEMBL1269884 | Small molecule | -- | 515.7 | C31H41N5O2 | BASE | Details |
| B002498 | CHEMBL1269992 | Small molecule | -- | 503.69 | C30H41N5O2 | BASE | Details |
| B002499 | CHEMBL127 | Small molecule | MEROPENEM | 383.47 | C17H25N3O5S | ZWITTERION | Details |
| B002500 | CHEMBL127003 | Small molecule | -- | 333.38 | C18H23NO5 | NEUTRAL | Details |