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 | |
|---|---|---|---|---|---|---|---|
| B002101 | CHEMBL122982 | Small molecule | -- | 560.65 | C31H36N4O6 | NEUTRAL | Details |
| B002102 | CHEMBL1229846 | Small molecule | PHENOXYETHANOL | 138.17 | C8H10O2 | NEUTRAL | Details |
| B002103 | CHEMBL1229938 | Small molecule | -- | 126.05 | C2H7O4P | ACID | Details |
| B002104 | CHEMBL123 | Small molecule | ELLIPTECINE | 246.31 | C17H14N2 | NEUTRAL | Details |
| B002105 | CHEMBL1230004 | Small molecule | -- | 266.34 | C14H22N2O3 | BASE | Details |
| B002106 | CHEMBL1230020 | Small molecule | PLX-4720 | 413.83 | C17H14ClF2N3O3S | NEUTRAL | Details |
| B002107 | CHEMBL1230165 | Small molecule | SILMITASERTIB | 349.78 | C19H12ClN3O2 | ACID | Details |
| B002108 | CHEMBL1230276 | Small molecule | -- | 232.19 | C11H8N2O4 | ACID | Details |
| B002109 | CHEMBL1230333 | Small molecule | -- | 170.23 | C8H10O2S | ACID | Details |
| B002110 | CHEMBL1230353 | Small molecule | -- | 516.64 | C34H32N2O3 | ACID | Details |
| B002111 | CHEMBL1230438 | Small molecule | -- | 288.43 | C19H28O2 | NEUTRAL | Details |
| B002112 | CHEMBL1230532 | Small molecule | -- | 313.74 | C17H12ClNO3 | ACID | Details |
| B002113 | CHEMBL1230607 | Small molecule | PHA-793887 | 361.49 | C19H31N5O2 | BASE | Details |
| B002114 | CHEMBL1230609 | Small molecule | FORETINIB | 632.66 | C34H34F2N4O6 | NEUTRAL | Details |
| B002115 | CHEMBL1230813 | Oligosaccharide | ALFADEX | 972.85 | C36H60O30 | NEUTRAL | Details |
| B002116 | CHEMBL123091 | Small molecule | -- | 507.62 | C26H29N5O4S | NEUTRAL | Details |
| B002117 | CHEMBL1231 | Small molecule | OXYBUTYNIN | 357.49 | C22H31NO3 | BASE | Details |
| B002118 | CHEMBL1231107 | Small molecule | CYROMAZINE | 166.19 | C6H10N6 | BASE | Details |
| B002119 | CHEMBL1231124 | Small molecule | AZD-1480 | 348.77 | C14H14ClFN8 | NEUTRAL | Details |
| B002120 | CHEMBL1231530 | Small molecule | BETAMIPRON | 193.2 | C10H11NO3 | ACID | Details |
| B002121 | CHEMBL1231533 | Small molecule | -- | 285.23 | C11H5F2NO4S | ACID | Details |
| B002122 | CHEMBL1231667 | Small molecule | CARBOXIN | 235.31 | C12H13NO2S | NEUTRAL | Details |
| B002123 | CHEMBL1231723 | Small molecule | POLIDOCANOL | 582.82 | C30H62O10 | NEUTRAL | Details |
| B002124 | CHEMBL1231733 | Small molecule | -- | 485.49 | C28H23NO7 | ACID | Details |
| B002125 | CHEMBL1231797 | Small molecule | -- | 344.2 | C13H17IN2O | NEUTRAL | Details |
| B002126 | CHEMBL1231801 | Small molecule | -- | 249.3 | C10H11N5OS | NEUTRAL | Details |
| B002127 | CHEMBL1231847 | Small molecule | -- | 349.41 | C16H19N3O4S | NEUTRAL | Details |
| B002128 | CHEMBL123207 | Small molecule | -- | 471.31 | C18H15F6NO7 | ACID | Details |
| B002129 | CHEMBL1232179 | Small molecule | -- | 555.58 | C28H24F3N3O4S | NEUTRAL | Details |
| B002130 | CHEMBL123222 | Small molecule | -- | 498.55 | C22H30N2O9S | ACID | Details |
| B002131 | CHEMBL1232240 | Small molecule | DIPENTYLAMINE | 157.3 | C10H23N | BASE | Details |
| B002132 | CHEMBL1232286 | Small molecule | -- | 204.18 | C11H8O4 | ACID | Details |
| B002133 | CHEMBL123257 | Small molecule | -- | 461.54 | C25H23N3O4S | NEUTRAL | Details |
| B002134 | CHEMBL1232659 | Small molecule | FORMANILIDE | 121.14 | C7H7NO | NEUTRAL | Details |
| B002135 | CHEMBL123268 | Small molecule | -- | 488.61 | C28H28N2O4S | NEUTRAL | Details |
| B002136 | CHEMBL1232712 | Small molecule | -- | 391.56 | C26H33NO2 | NEUTRAL | Details |
| B002137 | CHEMBL123279 | Small molecule | -- | 642.55 | C30H28F6N2O7 | ACID | Details |
| B002138 | CHEMBL1232792 | Small molecule | FENAMIDONE | 311.41 | C17H17N3OS | NEUTRAL | Details |
| B002139 | CHEMBL1232805 | Small molecule | -- | 174.09 | C5H3FN2O4 | ACID | Details |
| B002140 | CHEMBL123292 | Small molecule | CYCLOHEXIMIDE | 281.35 | C15H23NO4 | NEUTRAL | Details |
| B002141 | CHEMBL1233058 | Small molecule | GALACTOSE | 180.16 | C6H12O6 | NEUTRAL | Details |
| B002142 | CHEMBL12333 | Small molecule | -- | 528.03 | C25H26ClN5O4S | ACID | Details |
| B002143 | CHEMBL1233300 | Small molecule | HYDROXYFASUDIL | 307.38 | C14H17N3O3S | NEUTRAL | Details |
| B002144 | CHEMBL1233528 | Small molecule | VOLASERTIB | 618.83 | C34H50N8O3 | BASE | Details |
| B002145 | CHEMBL1233687 | Small molecule | -- | 392.58 | C24H40O4 | ACID | Details |
| B002146 | CHEMBL1233714 | Small molecule | E1501 | 150.18 | C9H10O2 | NEUTRAL | Details |
| B002147 | CHEMBL123412 | Small molecule | -- | 540.98 | C23H25ClN2O9S | ACID | Details |
| B002148 | CHEMBL1234354 | Small molecule | PF-04691502 | 425.49 | C22H27N5O4 | NEUTRAL | Details |
| B002149 | CHEMBL1234490 | Small molecule | TERBUTRYNE | 241.36 | C10H19N5S | NEUTRAL | Details |
| B002150 | CHEMBL1234570 | Small molecule | -- | 297.34 | C12H15N3O4S | NEUTRAL | Details |
| B002151 | CHEMBL1234594 | Small molecule | -- | 131.18 | C6H13NO2 | NEUTRAL | Details |
| B002152 | CHEMBL1234833 | Small molecule | -- | 385.47 | C20H27N5O3 | NEUTRAL | Details |
| B002153 | CHEMBL1234848 | Small molecule | NITRILOTRIACETIC ACID | 191.14 | C6H9NO6 | ACID | Details |
| B002154 | CHEMBL1235017 | Small molecule | OROTIC ACID | 156.1 | C5H4N2O4 | ACID | Details |
| B002155 | CHEMBL1235157 | Small molecule | PENTABROMOPHENOL | 488.59 | C6HBr5O | ACID | Details |
| B002156 | CHEMBL1235226 | Small molecule | DI(HYDROXYETHYL)ETHER | 106.12 | C4H10O3 | NEUTRAL | Details |
| B002157 | CHEMBL1235242 | Small molecule | -- | 183.18 | C9H10FNO2 | ZWITTERION | Details |
| B002158 | CHEMBL1235252 | Small molecule | PROSTAGLANDIN D2 | 352.47 | C20H32O5 | ACID | Details |
| B002159 | CHEMBL1235254 | Small molecule | TETRAETHYLENE GLYCOL | 194.23 | C8H18O5 | NEUTRAL | Details |
| B002160 | CHEMBL1235259 | Small molecule | TRIETHYLENE GLYCOL | 150.17 | C6H14O4 | NEUTRAL | Details |
| B002161 | CHEMBL1235374 | Small molecule | -- | 152.15 | C7H8N2O2 | BASE | Details |
| B002162 | CHEMBL123547 | Small molecule | -- | 718.57 | C32H29Cl2N3O10S | ACID | Details |
| B002163 | CHEMBL1235482 | Small molecule | GLUTARAL | 100.12 | C5H8O2 | NEUTRAL | Details |
| B002164 | CHEMBL1235568 | Small molecule | -- | 222.27 | C10H10N2O2S | NEUTRAL | Details |
| B002165 | CHEMBL1235676 | Small molecule | -- | 234.25 | C12H14N2O3 | NEUTRAL | Details |
| B002166 | CHEMBL123568 | Small molecule | -- | 464.55 | C24H24N4O4S | ACID | Details |
| B002167 | CHEMBL1235717 | Small molecule | -- | 343.45 | C23H23N2O+ | NEUTRAL | Details |
| B002168 | CHEMBL123579 | Small molecule | -- | 460.56 | C26H24N2O4S | NEUTRAL | Details |
| B002169 | CHEMBL1235966 | Small molecule | SCOULERINE | 327.38 | C19H21NO4 | NEUTRAL | Details |
| B002170 | CHEMBL1236103 | Small molecule | -- | 216.03 | C7H6BrNO2 | ACID | Details |
| B002171 | CHEMBL1236107 | Small molecule | SGX-523 | 359.42 | C18H13N7S | NEUTRAL | Details |
| B002172 | CHEMBL1236282 | Small molecule | THIAMPHENICOL | 356.23 | C12H15Cl2NO5S | NEUTRAL | Details |
| B002173 | CHEMBL1236391 | Small molecule | -- | 366.49 | C20H22N4OS | BASE | Details |
| B002174 | CHEMBL1236433 | Small molecule | -- | 222.19 | C8H5F3O2S | NEUTRAL | Details |
| B002175 | CHEMBL1236682 | Small molecule | REFAMETINIB | 572.34 | C19H20F3IN2O5S | NEUTRAL | Details |
| B002176 | CHEMBL123670 | Small molecule | -- | 563.1 | C31H35ClN4O4 | NEUTRAL | Details |
| B002177 | CHEMBL123671 | Small molecule | -- | 535.67 | C28H33N5O4S | ACID | Details |
| B002178 | CHEMBL1236854 | Small molecule | XANTHOPTERIN | 179.14 | C6H5N5O2 | NEUTRAL | Details |
| B002179 | CHEMBL1236924 | Small molecule | INT131 | 514.22 | C21H12Cl4N2O3S | NEUTRAL | Details |
| B002180 | CHEMBL1236927 | Small molecule | -- | 569.87 | C20H10Cl3F3N2O2S3 | NEUTRAL | Details |
| B002181 | CHEMBL1236962 | Small molecule | OMIPALISIB | 505.51 | C25H17F2N5O3S | NEUTRAL | Details |
| B002182 | CHEMBL1237 | Small molecule | LISINOPRIL | 405.5 | C21H31N3O5 | ZWITTERION | Details |
| B002183 | CHEMBL1237007 | Small molecule | -- | 248.67 | C12H9ClN2O2 | ACID | Details |
| B002184 | CHEMBL1237044 | Small molecule | TRAMADOL | 263.38 | C16H25NO2 | BASE | Details |
| B002185 | CHEMBL1237061 | Small molecule | PITAVASTATIN CALCIUM | 881.0 | C50H46CaF2N2O8 | ACID | Details |
| B002186 | CHEMBL1237135 | Small molecule | MAPROTILINE HYDROCHLORIDE | 313.87 | C20H24ClN | BASE | Details |
| B002187 | CHEMBL1237174 | Small molecule | HYDRAZINE | 32.05 | H4N2 | NEUTRAL | Details |
| B002188 | CHEMBL123749 | Small molecule | -- | 461.54 | C25H23N3O4S | NEUTRAL | Details |
| B002189 | CHEMBL123854 | Small molecule | -- | 687.67 | C33H36F3N5O8 | ACID | Details |
| B002190 | CHEMBL123890 | Small molecule | -- | 514.56 | C23H26N6O6S | ACID | Details |
| B002191 | CHEMBL123897 | Small molecule | -- | 612.57 | C30H33N2O10P | ACID | Details |
| B002192 | CHEMBL1239 | Small molecule | BENZYL BENZOATE | 212.25 | C14H12O2 | None | Details |
| B002193 | CHEMBL12392 | Small molecule | -- | 125.15 | C7H8FN | BASE | Details |
| B002194 | CHEMBL123920 | Small molecule | -- | 545.36 | C23H14Cl2N4O6S | ACID | Details |
| B002195 | CHEMBL124006 | Small molecule | -- | 279.39 | C18H21N3 | BASE | Details |
| B002196 | CHEMBL124020 | Small molecule | -- | 598.61 | C29H34N4O10 | ACID | Details |
| B002197 | CHEMBL124039 | Small molecule | -- | 499.33 | C19H16Cl2N4O6S | ACID | Details |
| B002198 | CHEMBL1240703 | Small molecule | CGP-52421 | 586.65 | C35H30N4O5 | NEUTRAL | Details |
| B002199 | CHEMBL1240772 | Protein | GLP-1 | 3169.55 | C144H218N38O43 | None | Details |
| B002200 | CHEMBL1240773 | Protein | -- | 3195.55 | C144H216N40O43 | None | Details |