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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     Bile acid receptor
2251 records.
Compound ID Source ID Source Type Compound Name Molecular Weight Molecular Formula Molecular Species
B141796 CHEMBL483197 Small molecule -- 385.38 C22H15N3O4 None Details
B141801 CHEMBL483579 Small molecule -- 398.42 C24H18N2O4 NEUTRAL Details
B141816 CHEMBL484182 Small molecule -- 432.86 C24H17ClN2O4 NEUTRAL Details
B141817 CHEMBL484183 Small molecule -- 428.44 C25H20N2O5 NEUTRAL Details
B141818 CHEMBL484184 Small molecule -- 448.48 C28H20N2O4 NEUTRAL Details
B141835 CHEMBL484547 Small molecule -- 354.4 C21H22O5 NEUTRAL Details
B141843 CHEMBL484756 Small molecule -- 336.39 C20H20N2O3 NEUTRAL Details
B141844 CHEMBL484757 Small molecule -- 308.34 C18H16N2O3 NEUTRAL Details
B141854 CHEMBL485210 Small molecule -- 384.44 C24H20N2O3 NEUTRAL Details
B141858 CHEMBL485403 Small molecule -- 438.4 C24H17F3N2O3 NEUTRAL Details
B141859 CHEMBL485404 Small molecule -- 438.4 C24H17F3N2O3 NEUTRAL Details
B141862 CHEMBL485563 Small molecule -- 388.38 C22H16N2O5 NEUTRAL Details
B141863 CHEMBL485593 Small molecule -- 442.47 C26H22N2O5 NEUTRAL Details
B141870 CHEMBL485805 Small molecule ATRACTYLENOLIDE II 232.32 C15H20O2 NEUTRAL Details
B141872 CHEMBL485833 Small molecule FLUDIOXONIL 248.19 C12H6F2N2O2 NEUTRAL Details
B141878 CHEMBL485998 Small molecule FRIEDELINE 426.73 C30H50O NEUTRAL Details
B141881 CHEMBL486193 Small molecule RETINYL ACETATE 328.5 C22H32O2 NEUTRAL Details
B141893 CHEMBL486393 Small molecule LUPENONE 424.71 C30H48O NEUTRAL Details
B141904 CHEMBL486696 Small molecule DOMIPHEN BROMIDE 414.47 C22H40BrNO NEUTRAL Details
B141913 CHEMBL486961 Small molecule ATRACTYLENOLIDE III 248.32 C15H20O3 NEUTRAL Details
B141931 CHEMBL487603 Small molecule ISOSAFROLE 162.19 C10H10O2 None Details
B141965 CHEMBL489 Small molecule AFIMOXIFENE 387.52 C26H29NO2 BASE Details
B142028 CHEMBL491517 Small molecule maneb 265.31 C4H6MnN2S4 None Details
B142030 CHEMBL491582 Small molecule TANNIN PYROGALLOL 230.31 C18H14 None Details
B142042 CHEMBL491936 Small molecule -- 306.36 C20H18O3 NEUTRAL Details
B142081 CHEMBL492963 Small molecule -- 572.87 C29H24Cl3NO5 ACID Details
B142126 CHEMBL494194 Small molecule -- 539.96 C29H24ClF2NO5 ACID Details
B142127 CHEMBL494195 Small molecule -- 572.87 C29H24Cl3NO5 ACID Details
B142179 CHEMBL495365 Small molecule -- 556.42 C29H24Cl2FNO5 ACID Details
B142195 CHEMBL496 Small molecule HEXACHLOROPHENE 406.91 C13H6Cl6O2 ACID Details
B142225 CHEMBL497 Small molecule CLIOQUINOL 305.5 C9H5ClINO NEUTRAL Details
B142226 CHEMBL497170 Small molecule -- 268.27 C16H12O4 NEUTRAL Details
B142370 CHEMBL503384 Small molecule -- 652.78 C28H46Na2O10S2 ACID Details
B142393 CHEMBL504760 Small molecule CAMPHOR 152.24 C10H16O NEUTRAL Details
B142398 CHEMBL504888 Small molecule METHAMIDOPHOS 141.13 C2H8NO2PS NEUTRAL Details
B142427 CHEMBL506538 Small molecule TRIPHENYLSTANNANOL 367.04 C18H16OSn None Details
B142447 CHEMBL507499 Small molecule -- 370.41 C23H18N2O3 NEUTRAL Details
B142453 CHEMBL507745 Small molecule -- 392.43 C23H21FN2O3 NEUTRAL Details
B142455 CHEMBL507786 Small molecule -- 418.49 C25H26N2O4 NEUTRAL Details
B142464 CHEMBL508112 Small molecule BENZOTHIAZYL DISULFIDE 332.5 C14H8N2S4 NEUTRAL Details
B142473 CHEMBL508338 Small molecule THIMEROSAL 404.82 C9H9HgNaO2S None Details
B142491 CHEMBL509309 Small molecule AZADIRACTIN 720.72 C35H44O16 NEUTRAL Details
B142493 CHEMBL509416 Small molecule -- 404.47 C24H24N2O4 NEUTRAL Details
B142496 CHEMBL509531 Small molecule -- 1229.32 C56H92O29 None Details
B142504 CHEMBL509912 Small molecule -- 392.43 C23H21FN2O3 NEUTRAL Details
B142515 CHEMBL510862 Small molecule -- 424.45 C24H22F2N2O3 NEUTRAL Details
B142523 CHEMBL511261 Small molecule -- 538.43 C29H25Cl2NO5 ACID Details
B142527 CHEMBL511389 Small molecule -- 546.02 C30H28ClN3O5 ACID Details
B142532 CHEMBL511559 Small molecule -- 532.0 C29H26ClN3O5 ACID Details
B142536 CHEMBL511667 Small molecule tributyltin-oxide 596.12 C24H54OSn2 None Details
B142547 CHEMBL512070 Small molecule -- 554.04 C33H28ClNO5 ACID Details
B142555 CHEMBL512469 Small molecule -- 620.94 C29H24Cl3NO6S ACID Details
B142572 CHEMBL513149 Small molecule -- 532.0 C29H26ClN3O5 ACID Details
B142582 CHEMBL513475 Small molecule -- 483.99 C27H30ClNO5 ACID Details
B142591 CHEMBL513828 Small molecule -- 556.87 C29H24Cl3NO4 ACID Details
B142615 CHEMBL514398 Small molecule -- 532.42 C30H23Cl2NO4 ACID Details
B142632 CHEMBL51483 Small molecule GOSSYPOL 518.56 C30H30O8 NEUTRAL Details
B142656 CHEMBL515580 Small molecule CHLOROTRIPHENYLSTANNANE 385.48 C18H15ClSn None Details
B142663 CHEMBL515776 Small molecule -- 532.42 C30H23Cl2NO4 ACID Details
B142710 CHEMBL517365 Small molecule -- 532.42 C30H23Cl2NO4 ACID Details
B142735 CHEMBL518700 Small molecule TAGITININ A 368.43 C19H28O7 NEUTRAL Details
B142739 CHEMBL518855 Small molecule SARCOPHINE 316.44 C20H28O3 NEUTRAL Details
B142761 CHEMBL519840 Small molecule -- 388.4 C23H17FN2O3 NEUTRAL Details
B142764 CHEMBL519861 Small molecule -- 430.44 C25H19FN2O4 NEUTRAL Details
B142765 CHEMBL519873 Small molecule PYRACLOSTROBIN 387.82 C19H18ClN3O4 NEUTRAL Details
B142777 CHEMBL520356 Small molecule -- 477.31 C24H17BrN2O4 NEUTRAL Details
B142779 CHEMBL520486 Small molecule -- 432.86 C24H17ClN2O4 NEUTRAL Details
B142781 CHEMBL520519 Small molecule -- 429.43 C24H19N3O5 NEUTRAL Details
B142790 CHEMBL520976 Small molecule -- 413.43 C24H19N3O4 NEUTRAL Details
B142794 CHEMBL521020 Small molecule -- 462.51 C29H22N2O4 NEUTRAL Details
B142827 CHEMBL522153 Small molecule -- 572.87 C29H24Cl3NO5 ACID Details
B142852 CHEMBL522782 Small molecule PROCHLORAZ 376.67 C15H16Cl3N3O2 NEUTRAL Details
B142857 CHEMBL522936 Small molecule -- 318.37 C21H18O3 ACID Details
B142858 CHEMBL522994 Small molecule FENPROPATHRIN 349.43 C22H23NO3 NEUTRAL Details
B142869 CHEMBL523368 Small molecule -- 572.87 C29H24Cl3NO5 ACID Details
B142885 CHEMBL523785 Small molecule -- 378.4 C22H19FN2O3 NEUTRAL Details
B142996 CHEMBL530115 Small molecule GUTHION 317.33 C10H12N3O3PS2 NEUTRAL Details
B143037 CHEMBL53417 Small molecule -- 336.43 C19H28O5 ACID Details
B143070 CHEMBL537 Small molecule HYDROQUINONE 110.11 C6H6O2 NEUTRAL Details
B143121 CHEMBL540677 Small molecule PYRIMETHANIL 199.26 C12H13N3 NEUTRAL Details
B143165 CHEMBL547 Small molecule ISOTRETINOIN 300.44 C20H28O2 ACID Details
B143188 CHEMBL549310 Small molecule -- 585.47 C28H22Cl2N2O6S ACID Details
B143206 CHEMBL55 Small molecule PENTAMIDINE 340.43 C19H24N4O2 BASE Details
B143209 CHEMBL550070 Small molecule -- 536.42 C28H23Cl2N3O4 ACID Details
B143221 CHEMBL550495 Small molecule METHYLENE BLUE 373.91 C16H24ClN3O3S NEUTRAL Details
B143248 CHEMBL551019 Small molecule -- 538.45 C28H21Cl2NO4S ACID Details
B143255 CHEMBL551154 Small molecule -- 177.03 C6H6Cl2N2 NEUTRAL Details
B143259 CHEMBL551344 Small molecule -- 539.44 C27H20Cl2N2O4S ACID Details
B143260 CHEMBL551345 Small molecule -- 532.42 C30H23Cl2NO4 ACID Details
B143282 CHEMBL551883 Small molecule -- 307.26 C18H20Cl2 None Details
B143304 CHEMBL552352 Small molecule -- 535.43 C29H24Cl2N2O4 ACID Details
B143316 CHEMBL552741 Small molecule -- 142.59 C6H7ClN2 NEUTRAL Details
B143336 CHEMBL554727 Small molecule -- 547.44 C30H24Cl2N2O4 ACID Details
B143351 CHEMBL556311 Small molecule -- 521.4 C28H22Cl2N2O4 ACID Details
B143387 CHEMBL558143 Small molecule -- 538.45 C28H21Cl2NO4S ACID Details
B143388 CHEMBL558267 Small molecule -- 538.45 C28H21Cl2NO4S ACID Details
B143397 CHEMBL558662 Small molecule -- 551.43 C29H24Cl2N2O5 ACID Details
B143398 CHEMBL558724 Small molecule -- 521.4 C28H22Cl2N2O4 ACID Details
B143416 CHEMBL559554 Small molecule -- 532.42 C30H23Cl2NO4 ACID Details
B143424 CHEMBL559890 Small molecule -- 536.42 C28H23Cl2N3O4 ACID Details