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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Thyroid hormone receptor beta6296 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B000007 | CHEMBL10041 | Small molecule | AFIMOXIFENE | 387.52 | C26H29NO2 | BASE | Details |
| B000036 | CHEMBL101263 | Small molecule | 4-NITROBENZOIC ACID | 167.12 | C7H5NO4 | ACID | Details |
| B000046 | CHEMBL101519 | Small molecule | -- | 429.52 | C27H27NO4 | BASE | Details |
| B000076 | CHEMBL102426 | Small molecule | -- | 356.51 | C22H32N2O2 | BASE | Details |
| B000083 | CHEMBL103 | Small molecule | PROGESTERONE | 314.47 | C21H30O2 | NEUTRAL | Details |
| B000085 | CHEMBL103102 | Small molecule | -- | 127.19 | C6H13N3 | BASE | Details |
| B000100 | CHEMBL103955 | Small molecule | CHAETOMELLIC ACID A | 326.48 | C19H34O4 | ACID | Details |
| B000104 | CHEMBL1042 | Small molecule | CHOLECALCIFEROL | 384.65 | C27H44O | NEUTRAL | Details |
| B000120 | CHEMBL1046 | Small molecule | AMINOCAPROIC ACID | 131.18 | C6H13NO2 | ZWITTERION | Details |
| B000139 | CHEMBL105310 | Small molecule | 2',4'-DIHYDROXYCHALCONE | 240.26 | C15H12O3 | NEUTRAL | Details |
| B000153 | CHEMBL105712 | Small molecule | PHENACYL CHLORIDE | 154.6 | C8H7ClO | NEUTRAL | Details |
| B000158 | CHEMBL105983 | Small molecule | -- | 343.42 | C20H25NO4 | ZWITTERION | Details |
| B000189 | CHEMBL107 | Small molecule | COLCHICINE | 399.44 | C22H25NO6 | NEUTRAL | Details |
| B000201 | CHEMBL107400 | Small molecule | SOBETIROME | 328.41 | C20H24O4 | ACID | Details |
| B000232 | CHEMBL1076347 | Small molecule | TRICLOCARBAN | 315.59 | C13H9Cl3N2O | NEUTRAL | Details |
| B000266 | CHEMBL1076722 | Small molecule | -- | 417.88 | C18H16ClN5O3S | NEUTRAL | Details |
| B000325 | CHEMBL1078384 | Small molecule | -- | 294.39 | C20H22O2 | NEUTRAL | Details |
| B000345 | CHEMBL1079460 | Small molecule | -- | 452.56 | C24H25FN4O2S | NEUTRAL | Details |
| B000379 | CHEMBL108 | Small molecule | CARBAMAZEPINE | 236.27 | C15H12N2O | NEUTRAL | Details |
| B000398 | CHEMBL1080325 | Small molecule | -- | 495.95 | C23H18ClN5O4S | NEUTRAL | Details |
| B000411 | CHEMBL1080503 | Small molecule | -- | 506.03 | C26H24ClN5O2S | NEUTRAL | Details |
| B000426 | CHEMBL1080860 | Small molecule | -- | 470.0 | C23H24ClN5O2S | NEUTRAL | Details |
| B000430 | CHEMBL1080918 | Small molecule | -- | 499.0 | C23H23ClN6O3S | NEUTRAL | Details |
| B000433 | CHEMBL1080996 | Small molecule | PROPHAM | 179.22 | C10H13NO2 | NEUTRAL | Details |
| B000434 | CHEMBL1080997 | Small molecule | CITRAL | 152.24 | C10H16O | NEUTRAL | Details |
| B000475 | CHEMBL1081641 | Small molecule | -- | 505.0 | C25H21ClN6O2S | NEUTRAL | Details |
| B000557 | CHEMBL108436 | Small molecule | NONANOATE | 158.24 | C9H18O2 | ACID | Details |
| B000559 | CHEMBL1084441 | Small molecule | -- | 323.37 | C20H18FNO2 | NEUTRAL | Details |
| B000646 | CHEMBL1087375 | Small molecule | -- | 499.14 | C8H2F17NO2S | ACID | Details |
| B000669 | CHEMBL108766 | Small molecule | DODECANOATE | 200.32 | C12H24O2 | ACID | Details |
| B000677 | CHEMBL1087887 | Small molecule | -- | 563.08 | C28H27ClN6O3S | NEUTRAL | Details |
| B000686 | CHEMBL1088184 | Small molecule | DIBUTYLDICHLOROSTANNANE | 303.85 | C8H18Cl2Sn | None | Details |
| B000687 | CHEMBL1088186 | Small molecule | TRIBUTYLCHLOROSTANNANE | 325.51 | C12H27ClSn | None | Details |
| B000690 | CHEMBL108829 | Small molecule | 2-PHENYLPHENOL | 170.21 | C12H10O | NEUTRAL | Details |
| B000694 | CHEMBL108861 | Small molecule | METHYLEUGENOL | 178.23 | C11H14O2 | NEUTRAL | Details |
| B000761 | CHEMBL109 | Small molecule | VALPROIC ACID | 144.21 | C8H16O2 | ACID | Details |
| B000783 | CHEMBL109037 | Small molecule | -- | 213.19 | C9H11NO5 | ZWITTERION | Details |
| B000831 | CHEMBL1091250 | Small molecule | INDIGOTINDISULFONATE | 422.4 | C16H10N2O8S2 | ACID | Details |
| B000911 | CHEMBL109279 | Small molecule | -- | 473.53 | C28H27NO6 | ACID | Details |
| B000971 | CHEMBL109430 | Small molecule | -- | 498.66 | C33H38O4 | ACID | Details |
| B001035 | CHEMBL110011 | Small molecule | TETRADECYLAMINE | 213.41 | C14H31N | BASE | Details |
| B001039 | CHEMBL110158 | Small molecule | -- | 443.54 | C28H29NO4 | ACID | Details |
| B001045 | CHEMBL110335 | Small molecule | -- | 341.45 | C21H27NO3 | ZWITTERION | Details |
| B001052 | CHEMBL110691 | Small molecule | CHLORMADINONE ACETATE | 404.93 | C23H29ClO4 | NEUTRAL | Details |
| B001054 | CHEMBL110739 | Small molecule | CORTICOSTERONE | 346.47 | C21H30O4 | NEUTRAL | Details |
| B001069 | CHEMBL1113 | Small molecule | AMOXAPINE | 313.79 | C17H16ClN3O | BASE | Details |
| B001077 | CHEMBL1116 | Small molecule | RALOXIFENE HYDROCHLORIDE | 510.06 | C28H28ClNO4S | NEUTRAL | Details |
| B001080 | CHEMBL111654 | Small molecule | 2-MERCAPTOBENZOTHIAZOLE | 167.26 | C7H5NS2 | NEUTRAL | Details |
| B001081 | CHEMBL1117 | Small molecule | IDARUBICIN | 497.5 | C26H27NO9 | BASE | Details |
| B001086 | CHEMBL111953 | Small molecule | -- | 428.53 | C28H28O4 | ACID | Details |
| B001094 | CHEMBL112087 | Small molecule | -- | 449.5 | C26H27NO6 | ACID | Details |
| B001111 | CHEMBL113 | Small molecule | CAFFEINE | 194.19 | C8H10N4O2 | NEUTRAL | Details |
| B001132 | CHEMBL1142 | Small molecule | 4-AMINOPHENOL | 109.13 | C6H7NO | NEUTRAL | Details |
| B001143 | CHEMBL11475 | Small molecule | -- | 204.18 | C11H8O4 | NEUTRAL | Details |
| B001148 | CHEMBL114898 | Small molecule | -- | 366.42 | C20H22N4O3 | NEUTRAL | Details |
| B001170 | CHEMBL1157 | Small molecule | ADIPIC ACID | 146.14 | C6H10O4 | ACID | Details |
| B001180 | CHEMBL1160028 | Small molecule | TETRAIDOFLUORESCEIN | 835.89 | C20H8I4O5 | ACID | Details |
| B001182 | CHEMBL1160160 | Small molecule | ROSE BENGAL | 973.67 | C20H4Cl4I4O5 | ACID | Details |
| B001184 | CHEMBL1160508 | Small molecule | -- | 153.16 | C3H7NO4S | ZWITTERION | Details |
| B001190 | CHEMBL1160819 | Small molecule | AMMONIA SOLUTION, STRONG | 17.03 | H3N | BASE | Details |
| B001229 | CHEMBL1162491 | Small molecule | OCTANEDIOATE | 174.2 | C8H14O4 | ACID | Details |
| B001271 | CHEMBL1164301 | Small molecule | ASARALDEHYDE | 196.2 | C10H12O4 | NEUTRAL | Details |
| B001292 | CHEMBL1165553 | Small molecule | BROMODIOLONE | 527.41 | C30H23BrO4 | ACID | Details |
| B001307 | CHEMBL116955 | Small molecule | CONGO RED | 652.71 | C32H24N6O6S2 | ACID | Details |
| B001471 | CHEMBL1173120 | Small molecule | -- | 537.54 | C24H27N9O6 | NEUTRAL | Details |
| B001512 | CHEMBL118 | Small molecule | CELECOXIB | 381.38 | C17H14F3N3O2S | NEUTRAL | Details |
| B001530 | CHEMBL118339 | Small molecule | -- | 289.38 | C19H19N3 | NEUTRAL | Details |
| B001534 | CHEMBL118417 | Small molecule | -- | 335.33 | C16H31BrO2 | ACID | Details |
| B001546 | CHEMBL1186487 | Small molecule | -- | 485.65 | C25H29N2O4S2+ | NEUTRAL | Details |
| B001547 | CHEMBL1187 | Small molecule | PHOSPHORIC ACID | 97.99 | H3O4P | ACID | Details |
| B001591 | CHEMBL119604 | Small molecule | DIETHANOLAMINE | 105.14 | C4H11NO2 | BASE | Details |
| B001611 | CHEMBL119936 | Small molecule | -- | 372.5 | C22H20N4S | NEUTRAL | Details |
| B001617 | CHEMBL119976 | Small molecule | -- | 326.4 | C21H18N4 | NEUTRAL | Details |
| B001628 | CHEMBL1200370 | Small molecule | BENZOYL PEROXIDE | 242.23 | C14H10O4 | None | Details |
| B001642 | CHEMBL1200468 | Small molecule | MALATHION | 330.36 | C10H19O6PS2 | NEUTRAL | Details |
| B001644 | CHEMBL1200471 | Small molecule | PYRITHIONE ZINC | 317.71 | C10H8N2O2S2Zn | NEUTRAL | Details |
| B001645 | CHEMBL1200478 | Small molecule | DYCLONINE HYDROCHLORIDE | 325.88 | C18H28ClNO2 | NEUTRAL | Details |
| B001656 | CHEMBL1200585 | Small molecule | OXYMETHOLONE | 332.48 | C21H32O3 | NEUTRAL | Details |
| B001669 | CHEMBL1200660 | Small molecule | ISOSORBIDE | 146.14 | C6H10O4 | NEUTRAL | Details |
| B001675 | CHEMBL1200710 | Small molecule | CLOMIPRAMINE HYDROCHLORIDE | 351.32 | C19H24Cl2N2 | BASE | Details |
| B001676 | CHEMBL1200714 | Small molecule | CHLORMEZANONE | 273.74 | C11H12ClNO3S | NEUTRAL | Details |
| B001687 | CHEMBL1200787 | Small molecule | PHENOXYBENZAMINE HYDROCHLORIDE | 340.29 | C18H23Cl2NO | NEUTRAL | Details |
| B001699 | CHEMBL1200852 | Small molecule | PENICILLIN V POTASSIUM | 388.49 | C16H17KN2O5S | ACID | Details |
| B001707 | CHEMBL1200964 | Small molecule | AMITRIPTYLINE HYDROCHLORIDE | 313.87 | C20H24ClN | BASE | Details |
| B001712 | CHEMBL1201001 | Small molecule | MECHLORETHAMINE HYDROCHLORIDE | 192.52 | C5H12Cl3N | NEUTRAL | Details |
| B001716 | CHEMBL1201022 | Small molecule | PHENAZOPYRIDINE HYDROCHLORIDE | 249.71 | C11H12ClN5 | NEUTRAL | Details |
| B001717 | CHEMBL1201023 | Small molecule | ORPHENADRINE HYDROCHLORIDE | 305.85 | C18H24ClNO | BASE | Details |
| B001721 | CHEMBL1201049 | Small molecule | ECONAZOLE NITRATE | 444.7 | C18H16Cl3N3O4 | NEUTRAL | Details |
| B001728 | CHEMBL1201119 | Small molecule | LIOTHYRONINE SODIUM | 672.96 | C15H11I3NNaO4 | ZWITTERION | Details |
| B001732 | CHEMBL1201147 | Small molecule | OCTOCRYLENE | 361.49 | C24H27NO2 | None | Details |
| B001744 | CHEMBL1201217 | Small molecule | DYCLONINE | 289.42 | C18H27NO2 | NEUTRAL | Details |
| B001757 | CHEMBL120211 | Small molecule | -- | 305.38 | C19H19N3O | NEUTRAL | Details |
| B001760 | CHEMBL120245 | Small molecule | -- | 354.46 | C23H22N4 | NEUTRAL | Details |
| B001774 | CHEMBL1205 | Small molecule | NELFINAVIR MESYLATE | 663.9 | C33H49N3O7S2 | NEUTRAL | Details |
| B001778 | CHEMBL120526 | Small molecule | METHANANDAMIDE | 361.57 | C23H39NO2 | NEUTRAL | Details |
| B001779 | CHEMBL120563 | Small molecule | THIRAM | 240.44 | C6H12N2S4 | None | Details |
| B001784 | CHEMBL120587 | Small molecule | -- | 370.46 | C23H22N4O | NEUTRAL | Details |
| B001790 | CHEMBL120718 | Small molecule | -- | 311.33 | C18H15F2N3 | NEUTRAL | Details |
| B001795 | CHEMBL120799 | Small molecule | -- | 279.32 | C17H14FN3 | NEUTRAL | Details |
| B001797 | CHEMBL1208422 | Small molecule | ROSE BENGAL | 973.67 | C20H4Cl4I4O5 | ACID | Details |