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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     Arachidonate 12-lipoxygenase
3011 records.
Compound ID Source ID Source Type Compound Name Molecular Weight Molecular Formula Molecular Species
B122744 CHEMBL3199926 Small molecule -- 326.47 C18H22N4S NEUTRAL Details
B122769 CHEMBL3207361 Small molecule -- 349.41 C16H19N3O4S NEUTRAL Details
B122784 CHEMBL3207440 Small molecule -- 402.5 C18H18N4O3S2 ACID Details
B122832 CHEMBL3207660 Small molecule -- 303.46 C15H17N3S2 NEUTRAL Details
B122842 CHEMBL3207708 Small molecule -- 420.29 C16H14BrN5O2S NEUTRAL Details
B122844 CHEMBL3207712 Small molecule -- 391.39 C17H24F3N3O4 NEUTRAL Details
B122927 CHEMBL3208086 Small molecule -- 315.8 C17H18ClN3O NEUTRAL Details
B122947 CHEMBL3208181 Small molecule -- 354.52 C20H26N4S NEUTRAL Details
B122992 CHEMBL3208415 Small molecule -- 265.43 C14H23N3S NEUTRAL Details
B123343 CHEMBL3210051 Small molecule -- 493.93 C23H16ClN5O4S NEUTRAL Details
B123351 CHEMBL3210083 Small molecule -- 357.28 C17H13BrN2S NEUTRAL Details
B123392 CHEMBL3210228 Small molecule -- 337.49 C20H23N3S NEUTRAL Details
B123542 CHEMBL3210914 Small molecule -- 244.25 C13H12N2O3 NEUTRAL Details
B123611 CHEMBL3211218 Small molecule -- 313.43 C17H19N3OS NEUTRAL Details
B123620 CHEMBL3211272 Small molecule -- 317.85 C16H16ClN3S NEUTRAL Details
B123648 CHEMBL3211445 Small molecule -- 445.5 C23H19N5O3S NEUTRAL Details
B123694 CHEMBL3211695 Small molecule -- 379.43 C18H19F2N3O2S NEUTRAL Details
B123778 CHEMBL3212135 Small molecule -- 317.85 C16H16ClN3S NEUTRAL Details
B123861 CHEMBL3212574 Small molecule -- 258.27 C15H12F2N2 NEUTRAL Details
B123882 CHEMBL3212700 Small molecule -- 350.37 C21H16F2N2O NEUTRAL Details
B123939 CHEMBL3212972 Small molecule -- 424.51 C20H16N4O3S2 NEUTRAL Details
B123946 CHEMBL3213003 Small molecule -- 249.29 C12H11NO3S ACID Details
B123990 CHEMBL3213220 Small molecule -- 323.46 C19H21N3S NEUTRAL Details
B123996 CHEMBL3213241 Small molecule -- 313.38 C16H15N3O2S NEUTRAL Details
B124031 CHEMBL3213395 Small molecule -- 275.42 C15H21N3S NEUTRAL Details
B124034 CHEMBL3213413 Small molecule -- 303.48 C17H25N3S NEUTRAL Details
B124057 CHEMBL3213526 Small molecule -- 425.51 C22H23N3O4S NEUTRAL Details
B124082 CHEMBL3213630 Small molecule -- 302.4 C16H18N2O2S ACID Details
B124117 CHEMBL3213811 Small molecule -- 258.28 C14H14N2O3 NEUTRAL Details
B124124 CHEMBL3213834 Small molecule -- 281.36 C17H19N3O NEUTRAL Details
B124225 CHEMBL3214406 Small molecule -- 522.43 C28H25Cl2N3O3 ACID Details
B124342 CHEMBL323197 Small molecule MANGOSTIN 410.47 C24H26O6 NEUTRAL Details
B125370 CHEMBL334255 Small molecule CETYLPYRIDINIUM BROMIDE 384.45 C21H38BrN NEUTRAL Details
B125664 CHEMBL33845 Small molecule DICHLOROPHEN 269.13 C13H10Cl2O2 NEUTRAL Details
B125709 CHEMBL3392040 Small molecule -- 268.43 C11H12N2S3 NEUTRAL Details
B126122 CHEMBL34259 Small molecule METHOTREXATE 454.45 C20H22N8O5 ACID Details
B126232 CHEMBL351042 Small molecule -- 197.19 C9H11NO4 ZWITTERION Details
B128879 CHEMBL366861 Small molecule FUMARPROTOCETRARIC ACID 472.36 C22H16O12 ACID Details
B130944 CHEMBL370152 Small molecule -- 428.34 C22H15Cl2NO2S ACID Details
B132125 CHEMBL3774784 Small molecule -- 387.45 C22H26FNO4 ACID Details
B132624 CHEMBL383793 Small molecule -- 373.46 C23H23N3O2 NEUTRAL Details
B136324 CHEMBL415324 Small molecule TRANILAST 327.34 C18H17NO5 ACID Details
B136658 CHEMBL417727 Small molecule -- 223.23 C14H9NO2 NEUTRAL Details
B136662 CHEMBL418068 Small molecule RHEIN 284.22 C15H8O6 ACID Details
B136704 CHEMBL4202767 Small molecule -- 391.85 C20H22ClNO5 ACID Details
B136930 CHEMBL421701 Small molecule DITHIAZANINE IODIDE 518.49 C23H23IN2S2 NEUTRAL Details
B137676 CHEMBL429095 Small molecule -- 310.4 C14H14O4S2 NEUTRAL Details
B138016 CHEMBL441282 Small molecule PROPYLPYRAZOLETRIOL 386.45 C24H22N2O3 NEUTRAL Details
B138955 CHEMBL4483575 -- -- 507.54 C27H27F2N5O3 NEUTRAL Details
B139056 CHEMBL45152 Small molecule -- 227.29 C13H9NOS None Details
B139185 CHEMBL4522930 -- -- 432.52 C17H22F2N4O3S2 NEUTRAL Details
B140210 CHEMBL461431 Small molecule -- 315.35 C15H13N3O3S NEUTRAL Details
B140230 CHEMBL462576 Small molecule KEPONE 490.64 C10Cl10O None Details
B140241 CHEMBL463210 Small molecule CHLORPYRIFOS 350.59 C9H11Cl3NO3PS NEUTRAL Details
B140360 CHEMBL464006 Small molecule MORUSIN 420.46 C25H24O6 NEUTRAL Details
B141282 CHEMBL477139 Small molecule -- 328.42 C16H12N2O2S2 NEUTRAL Details
B141791 CHEMBL48310 Small molecule HINOKITIOL 164.2 C10H12O2 NEUTRAL Details
B141940 CHEMBL487894 Small molecule DIPYRONE SODIUM 333.35 C13H16N3NaO4S ACID Details
B142195 CHEMBL496 Small molecule HEXACHLOROPHENE 406.91 C13H6Cl6O2 ACID Details
B142225 CHEMBL497 Small molecule CLIOQUINOL 305.5 C9H5ClINO NEUTRAL Details
B142276 CHEMBL50 Small molecule QUERCETIN 302.24 C15H10O7 ACID Details
B142395 CHEMBL504791 Small molecule -- 285.39 C15H11NOS2 NEUTRAL Details
B142473 CHEMBL508338 Small molecule THIMEROSAL 404.82 C9H9HgNaO2S None Details
B142514 CHEMBL51085 Small molecule EBSELEN 274.18 C13H9NOSe None Details
B142553 CHEMBL512366 Small molecule -- 422.94 C22H19ClN4OS NEUTRAL Details
B142632 CHEMBL51483 Small molecule GOSSYPOL 518.56 C30H30O8 NEUTRAL Details
B142694 CHEMBL516616 Small molecule -- 649.91 C20H10Br4O5 ACID Details
B143098 CHEMBL53898 Small molecule -- 322.36 C19H18N2O3 NEUTRAL Details
B143156 CHEMBL546344 Small molecule -- 307.18 C14H12Cl2N4 NEUTRAL Details
B143543 CHEMBL563294 Small molecule -- 284.34 C15H12N2O2S NEUTRAL Details
B143547 CHEMBL563351 Small molecule -- 450.6 C27H30O4S ACID Details
B143602 CHEMBL56543 Small molecule -- 294.31 C17H14N2O3 NEUTRAL Details
B143671 CHEMBL56731 Small molecule -- 280.28 C16H12N2O3 NEUTRAL Details
B143789 CHEMBL572203 Small molecule -- 184.24 C12H12N2 NEUTRAL Details
B143835 CHEMBL573524 Small molecule -- 300.31 C17H16O5 NEUTRAL Details
B143893 CHEMBL575867 Small molecule 4-CHLOROMERCURIBENZOIC ACID 357.16 C7H5ClHgO2 None Details
B144042 CHEMBL580727 Small molecule -- 330.77 C17H15ClN2O3 NEUTRAL Details
B144148 CHEMBL585 Small molecule TRIAMTERENE 253.27 C12H11N7 NEUTRAL Details
B144339 CHEMBL591126 Small molecule -- 321.22 C15H17BrN2O BASE Details
B144396 CHEMBL592124 Small molecule -- 424.51 C20H16N4O3S2 NEUTRAL Details
B144563 CHEMBL596674 Small molecule -- 331.46 C23H25NO BASE Details
B144627 CHEMBL6 Small molecule INDOMETHACIN 357.79 C19H16ClNO4 ACID Details
B144686 CHEMBL601547 Small molecule -- 386.88 C20H23ClN4O2 NEUTRAL Details
B144717 CHEMBL602213 Small molecule -- 430.33 C19H16BrN3O2S NEUTRAL Details
B144858 CHEMBL606167 Small molecule -- 359.43 C22H14FNOS NEUTRAL Details
B145016 CHEMBL64894 Small molecule GENTIAN VIOLET 407.99 C25H30ClN3 NEUTRAL Details
B145076 CHEMBL679 Small molecule EPINEPHRINE 183.21 C9H13NO3 BASE Details
B145129 CHEMBL69863 Small molecule PICEATANNOL 244.25 C14H12O4 NEUTRAL Details
B145302 CHEMBL76904 Small molecule TYRPHOSTIN 23 186.17 C10H6N2O2 NEUTRAL Details
B145347 CHEMBL786 Small molecule TAMOXIFEN CITRATE 563.65 C32H37NO8 BASE Details
B145428 CHEMBL817 Small molecule TOLAZAMIDE 311.41 C14H21N3O3S ACID Details
B145450 CHEMBL8260 Small molecule BAICALEIN 270.24 C15H10O5 NEUTRAL Details
B145453 CHEMBL828 Small molecule PHENOTHIAZINE 199.28 C12H9NS NEUTRAL Details
B145468 CHEMBL832 Small molecule SULFINPYRAZONE 404.49 C23H20N2O3S ACID Details
B145499 CHEMBL841 Small molecule LOPERAMIDE 477.05 C29H33ClN2O2 BASE Details
B145603 CHEMBL88961 Small molecule -- 454.39 C23H18O10 NEUTRAL Details
B145691 CHEMBL9113 Small molecule TOLUENE 92.14 C7H8 None Details
B145752 CHEMBL93 Small molecule ZILEUTON 236.3 C11H12N2O2S NEUTRAL Details
B145833 CHEMBL964 Small molecule DISULFIRAM 296.55 C10H20N2S4 None Details
B145855 CHEMBL98 Small molecule VORINOSTAT 264.32 C14H20N2O3 NEUTRAL Details