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
B144749 CHEMBL602693 Small molecule -- 489.62 C29H35N3O4 BASE Details
B144750 CHEMBL602709 Small molecule -- 558.72 C33H42N4O4 NEUTRAL Details
B144760 CHEMBL602883 Small molecule -- 485.63 C30H35N3O3 NEUTRAL Details
B144761 CHEMBL602894 Small molecule -- 531.65 C31H37N3O5 NEUTRAL Details
B144762 CHEMBL602895 Small molecule -- 544.7 C32H40N4O4 NEUTRAL Details
B144780 CHEMBL603086 Small molecule -- 501.63 C30H35N3O4 NEUTRAL Details
B144781 CHEMBL603099 Small molecule -- 503.64 C30H37N3O4 BASE Details
B144788 CHEMBL603278 Small molecule -- 456.46 C25H23F3N2O3 NEUTRAL Details
B144789 CHEMBL603282 Small molecule -- 519.62 C30H34FN3O4 NEUTRAL Details
B144798 CHEMBL603492 Small molecule -- 529.68 C32H39N3O4 BASE Details
B144813 CHEMBL604334 Small molecule -- 501.63 C30H35N3O4 NEUTRAL Details
B144814 CHEMBL604335 Small molecule -- 543.71 C33H41N3O4 BASE Details
B144822 CHEMBL604761 Small molecule -- 489.62 C29H35N3O4 BASE Details
B144854 CHEMBL605996 Small molecule -- 531.65 C31H37N3O5 NEUTRAL Details
B144923 CHEMBL611221 Small molecule -- 533.64 C31H36FN3O4 NEUTRAL Details
B144949 CHEMBL62136 Small molecule T091317 481.34 C17H12F9NO3S NEUTRAL Details
B144984 CHEMBL63857 Small molecule PHENOLPHTHALEIN 318.33 C20H14O4 NEUTRAL Details
B145005 CHEMBL6466 Small molecule COUMARIN 146.14 C9H6O2 None Details
B145016 CHEMBL64894 Small molecule GENTIAN VIOLET 407.99 C25H30ClN3 NEUTRAL Details
B145098 CHEMBL686 Small molecule MEFENAMIC ACID 241.29 C15H15NO2 ACID Details
B145110 CHEMBL691 Small molecule ETHINYL ESTRADIOL 296.41 C20H24O2 NEUTRAL Details
B145115 CHEMBL69367 Small molecule -- 351.45 C22H25NO3 ACID Details
B145134 CHEMBL7002 Small molecule CIGLITAZONE 333.45 C18H23NO3S NEUTRAL Details
B145178 CHEMBL71188 Small molecule -- 211.65 C9H10ClN3O NEUTRAL Details
B145195 CHEMBL717 Small molecule MEDROXYPROGESTERONE ACETATE 386.53 C24H34O4 NEUTRAL Details
B145226 CHEMBL7301 Small molecule FENRETINIDE 391.56 C26H33NO2 NEUTRAL Details
B145266 CHEMBL75124 Small molecule NONIVAMIDE 293.41 C17H27NO3 NEUTRAL Details
B145282 CHEMBL75967 Small molecule PENTACHLOROPHENOL 266.34 C6HCl5O ACID Details
B145311 CHEMBL772 Small molecule RESERPINE 608.69 C33H40N2O9 NEUTRAL Details
B145347 CHEMBL786 Small molecule TAMOXIFEN CITRATE 563.65 C32H37NO8 BASE Details
B145348 CHEMBL787 Small molecule MONTELUKAST 586.2 C35H36ClNO3S ACID Details
B145353 CHEMBL790 Small molecule CHLORHEXIDINE 505.46 C22H30Cl2N10 BASE Details
B145391 CHEMBL80460 Small molecule PLATANIC ACID 458.68 C29H46O4 ACID Details
B145410 CHEMBL81 Small molecule RALOXIFENE 473.59 C28H27NO4S NEUTRAL Details
B145419 CHEMBL81379 Small molecule RETINAL 284.44 C20H28O NEUTRAL Details
B145445 CHEMBL82293 Small molecule PALMITIC ACID 256.43 C16H32O2 ACID Details
B145459 CHEMBL82970 Small molecule SALICYLANILIDE 213.24 C13H11NO2 NEUTRAL Details
B145466 CHEMBL83154 Small molecule 2-AMINOANTHRACENE 193.25 C14H11N NEUTRAL Details
B145478 CHEMBL83552 Small molecule -- 225.29 C14H15N3 NEUTRAL Details
B145518 CHEMBL849 Small molecule TRICLOSAN 289.55 C12H7Cl3O2 NEUTRAL Details
B145523 CHEMBL852 Small molecule MELPHALAN 305.21 C13H18Cl2N2O2 ZWITTERION Details
B145540 CHEMBL8659 Small molecule OLEIC ACID 282.47 C18H34O2 ACID Details
B145562 CHEMBL8739 Small molecule LINOLENIC ACID 278.44 C18H30O2 ACID Details
B145613 CHEMBL89295 Small molecule SODIUM AZIDE 65.01 N3Na ACID Details
B145689 CHEMBL911 Small molecule ZOLPIDEM 307.4 C19H21N3O NEUTRAL Details
B145744 CHEMBL926 Small molecule DOBUTAMINE 301.39 C18H23NO3 BASE Details
B145768 CHEMBL935 Small molecule PENTAMIDINE ISETHIONATE 466.56 C21H30N4O6S BASE Details
B145790 CHEMBL941 Small molecule IMATINIB 493.62 C29H31N7O NEUTRAL Details
B145795 CHEMBL942 Small molecule BISACODYL 361.4 C22H19NO4 NEUTRAL Details
B145811 CHEMBL95367 Small molecule DEHYDROIMIDACLOPRID 253.65 C9H8ClN5O2 ACID Details
B145883 CHEMBL998 Small molecule LORATADINE 382.89 C22H23ClN2O2 NEUTRAL Details