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 | |
|---|---|---|---|---|---|---|---|
| B000001 | CHEMBL10 | Small molecule | SB-203580 | 377.44 | C21H16FN3OS | NEUTRAL | Details |
| B000002 | CHEMBL100114 | Small molecule | -- | 444.48 | C23H28N2O7 | NEUTRAL | Details |
| B000003 | CHEMBL100165 | Small molecule | -- | 440.49 | C24H30FNaO5 | ACID | Details |
| B000004 | CHEMBL100336 | Small molecule | -- | 532.77 | C34H48N2O3 | ZWITTERION | Details |
| B000005 | CHEMBL100405 | Small molecule | -- | 414.46 | C22H26N2O6 | NEUTRAL | Details |
| B000006 | CHEMBL100409 | Small molecule | -- | 483.35 | C22H24Cl2N2O6 | NEUTRAL | Details |
| B000007 | CHEMBL10041 | Small molecule | AFIMOXIFENE | 387.52 | C26H29NO2 | BASE | Details |
| B000008 | CHEMBL100473 | Small molecule | U-0126 | 380.5 | C18H16N6S2 | NEUTRAL | Details |
| B000009 | CHEMBL100559 | Small molecule | -- | 547.51 | C22H24F3N3O8S | ACID | Details |
| B000010 | CHEMBL100578 | Small molecule | -- | 415.45 | C21H25N3O6 | NEUTRAL | Details |
| B000011 | CHEMBL100588 | Small molecule | -- | 493.51 | C23H31N3O9 | ACID | Details |
| B000012 | CHEMBL100591 | Small molecule | -- | 547.51 | C22H24F3N3O8S | ACID | Details |
| B000013 | CHEMBL100596 | Small molecule | -- | 518.74 | C33H46N2O3 | ZWITTERION | Details |
| B000014 | CHEMBL1006 | Small molecule | AMIFOSTINE | 214.23 | C5H15N2O3PS | ZWITTERION | Details |
| B000015 | CHEMBL100643 | Small molecule | -- | 486.52 | C25H30N2O8 | ACID | Details |
| B000016 | CHEMBL100741 | Small molecule | -- | 364.4 | C18H24N2O6 | NEUTRAL | Details |
| B000017 | CHEMBL100769 | Small molecule | -- | 426.51 | C24H30N2O5 | NEUTRAL | Details |
| B000018 | CHEMBL100788 | Small molecule | -- | 470.52 | C25H30N2O7 | NEUTRAL | Details |
| B000019 | CHEMBL100801 | Small molecule | -- | 384.43 | C21H24N2O5 | NEUTRAL | Details |
| B000020 | CHEMBL100802 | Small molecule | -- | 428.49 | C23H28N2O6 | NEUTRAL | Details |
| B000021 | CHEMBL1009 | Small molecule | LEVODOPA | 197.19 | C9H11NO4 | ZWITTERION | Details |
| B000022 | CHEMBL100927 | Small molecule | -- | 415.45 | C21H25N3O6 | NEUTRAL | Details |
| B000023 | CHEMBL100933 | Small molecule | -- | 349.38 | C18H23NO6 | NEUTRAL | Details |
| B000024 | CHEMBL100958 | Small molecule | -- | 532.77 | C34H48N2O3 | BASE | Details |
| B000025 | CHEMBL101 | Small molecule | PHENYLBUTAZONE | 308.38 | C19H20N2O2 | ACID | Details |
| B000026 | CHEMBL1010 | Small molecule | CEFOTAXIME SODIUM | 477.46 | C16H16N5NaO7S2 | ACID | Details |
| B000027 | CHEMBL101108 | Small molecule | -- | 398.46 | C22H26N2O5 | NEUTRAL | Details |
| B000028 | CHEMBL101123 | Small molecule | -- | 661.6 | C33H29F6N3O5 | ACID | Details |
| B000029 | CHEMBL101141 | Small molecule | -- | 470.52 | C25H30N2O7 | NEUTRAL | Details |
| B000030 | CHEMBL101145 | Small molecule | -- | 444.44 | C22H24N2O8 | ACID | Details |
| B000031 | CHEMBL101165 | Small molecule | -- | 184.24 | C12H12N2 | NEUTRAL | Details |
| B000032 | CHEMBL101168 | Small molecule | -- | 134.14 | C6H6N4 | NEUTRAL | Details |
| B000033 | CHEMBL101182 | Small molecule | -- | 455.51 | C24H29N3O6 | NEUTRAL | Details |
| B000034 | CHEMBL101220 | Small molecule | -- | 384.43 | C21H24N2O5 | NEUTRAL | Details |
| B000035 | CHEMBL101253 | Small molecule | VATALANIB | 346.82 | C20H15ClN4 | NEUTRAL | Details |
| B000036 | CHEMBL101263 | Small molecule | 4-NITROBENZOIC ACID | 167.12 | C7H5NO4 | ACID | Details |
| B000037 | CHEMBL101326 | Small molecule | FIPRONIL | 437.15 | C12H4Cl2F6N4OS | NEUTRAL | Details |
| B000038 | CHEMBL101327 | Small molecule | -- | 545.92 | C28H20ClF4NO4 | ACID | Details |
| B000039 | CHEMBL101333 | Small molecule | -- | 608.87 | C40H52N2O3 | BASE | Details |
| B000040 | CHEMBL101341 | Small molecule | -- | 415.45 | C21H25N3O6 | NEUTRAL | Details |
| B000041 | CHEMBL101381 | Small molecule | -- | 587.3 | C28H22BrCl2NO4 | ACID | Details |
| B000042 | CHEMBL1014 | Small molecule | CANDESARTAN CILEXETIL | 610.67 | C33H34N6O6 | ACID | Details |
| B000043 | CHEMBL101442 | Small molecule | -- | 440.5 | C24H28N2O6 | NEUTRAL | Details |
| B000044 | CHEMBL101448 | Small molecule | -- | 412.49 | C23H28N2O5 | NEUTRAL | Details |
| B000045 | CHEMBL101497 | Small molecule | -- | 449.45 | C24H25FNNaO5 | ACID | Details |
| B000046 | CHEMBL101519 | Small molecule | -- | 429.52 | C27H27NO4 | BASE | Details |
| B000047 | CHEMBL101545 | Small molecule | -- | 486.52 | C25H30N2O8 | ACID | Details |
| B000048 | CHEMBL101547 | Small molecule | -- | 522.43 | C29H25Cl2NO4 | ACID | Details |
| B000049 | CHEMBL1016 | Small molecule | CANDESARTAN | 440.46 | C24H20N6O3 | ACID | Details |
| B000050 | CHEMBL101600 | Small molecule | -- | 499.62 | C27H42NNaO6 | ACID | Details |
| B000051 | CHEMBL101622 | Small molecule | -- | 481.59 | C27H35N3O5 | BASE | Details |
| B000052 | CHEMBL101644 | Small molecule | -- | 360.41 | C19H24N2O5 | NEUTRAL | Details |
| B000053 | CHEMBL101683 | Small molecule | -- | 337.81 | C19H16ClN3O | NEUTRAL | Details |
| B000054 | CHEMBL101684 | Small molecule | -- | 415.45 | C21H25N3O6 | NEUTRAL | Details |
| B000055 | CHEMBL1017 | Small molecule | TELMISARTAN | 514.63 | C33H30N4O2 | ACID | Details |
| B000056 | CHEMBL101714 | Small molecule | -- | 378.43 | C19H26N2O6 | NEUTRAL | Details |
| B000057 | CHEMBL101728 | Small molecule | -- | 444.55 | C23H28N2O5S | NEUTRAL | Details |
| B000058 | CHEMBL101797 | Small molecule | -- | 210.24 | C13H10N2O | NEUTRAL | Details |
| B000059 | CHEMBL1018 | Small molecule | DIENESTROL | 266.34 | C18H18O2 | NEUTRAL | Details |
| B000060 | CHEMBL101815 | Small molecule | -- | 225.21 | C12H7N3O2 | NEUTRAL | Details |
| B000061 | CHEMBL101824 | Small molecule | -- | 380.91 | C21H29ClO4 | NEUTRAL | Details |
| B000062 | CHEMBL101831 | Small molecule | -- | 754.87 | C39H42F2Na2O6S2 | ACID | Details |
| B000063 | CHEMBL101835 | Small molecule | -- | 511.58 | C27H33N3O7 | NEUTRAL | Details |
| B000064 | CHEMBL101961 | Small molecule | -- | 512.69 | C33H40N2O3 | ZWITTERION | Details |
| B000065 | CHEMBL1020 | Small molecule | TOLMETIN | 257.29 | C15H15NO3 | ACID | Details |
| B000066 | CHEMBL102004 | Small molecule | -- | 649.55 | C31H28F9NO4 | ACID | Details |
| B000067 | CHEMBL102005 | Small molecule | -- | 454.52 | C25H30N2O6 | NEUTRAL | Details |
| B000068 | CHEMBL102112 | Small molecule | -- | 403.41 | C22H22NNaO5 | ACID | Details |
| B000069 | CHEMBL102154 | Small molecule | -- | 456.5 | C24H28N2O7 | NEUTRAL | Details |
| B000070 | CHEMBL102168 | Small molecule | -- | 524.56 | C27H27F2NaO5S | ACID | Details |
| B000071 | CHEMBL102199 | Small molecule | -- | 528.53 | C30H27F2NaO5 | ACID | Details |
| B000072 | CHEMBL1023 | Small molecule | BEXAROTENE | 348.49 | C24H28O2 | ACID | Details |
| B000073 | CHEMBL102346 | Small molecule | -- | 485.54 | C27H27N5O4 | NEUTRAL | Details |
| B000074 | CHEMBL102397 | Small molecule | -- | 291.27 | C12H13N5O4 | NEUTRAL | Details |
| B000075 | CHEMBL1024 | Small molecule | IFOSFAMIDE | 261.09 | C7H15Cl2N2O2P | NEUTRAL | Details |
| B000076 | CHEMBL102426 | Small molecule | -- | 356.51 | C22H32N2O2 | BASE | Details |
| B000077 | CHEMBL10247 | Small molecule | THIORPHAN | 253.32 | C12H15NO3S | ACID | Details |
| B000078 | CHEMBL102674 | Small molecule | -- | 436.6 | C27H36N2O3 | ZWITTERION | Details |
| B000079 | CHEMBL102675 | Small molecule | -- | 450.62 | C28H38N2O3 | ZWITTERION | Details |
| B000080 | CHEMBL102714 | Small molecule | SB-216763 | 371.22 | C19H12Cl2N2O2 | NEUTRAL | Details |
| B000081 | CHEMBL102826 | Small molecule | -- | 502.74 | C33H46N2O2 | ZWITTERION | Details |
| B000082 | CHEMBL102901 | Small molecule | -- | 428.49 | C23H28N2O6 | NEUTRAL | Details |
| B000083 | CHEMBL103 | Small molecule | PROGESTERONE | 314.47 | C21H30O2 | NEUTRAL | Details |
| B000084 | CHEMBL10309 | Small molecule | -- | 441.37 | C23H25BrN2O2 | NEUTRAL | Details |
| B000085 | CHEMBL103102 | Small molecule | -- | 127.19 | C6H13N3 | BASE | Details |
| B000086 | CHEMBL103139 | Small molecule | -- | 421.4 | C22H21FNNaO5 | ACID | Details |
| B000087 | CHEMBL103268 | Small molecule | -- | 518.74 | C33H46N2O3 | ZWITTERION | Details |
| B000088 | CHEMBL103343 | Small molecule | -- | 504.76 | C33H48N2O2 | BASE | Details |
| B000089 | CHEMBL103394 | Small molecule | -- | 522.43 | C29H25Cl2NO4 | ACID | Details |
| B000090 | CHEMBL103552 | Small molecule | LAVENDUSTIN A | 381.38 | C21H19NO6 | ACID | Details |
| B000091 | CHEMBL103583 | Small molecule | -- | 217.27 | C16H11N | NEUTRAL | Details |
| B000092 | CHEMBL103592 | Small molecule | -- | 428.49 | C23H28N2O6 | NEUTRAL | Details |
| B000093 | CHEMBL1036 | Small molecule | HYDROXYHALOPERIDOL | 377.89 | C21H25ClFNO2 | BASE | Details |
| B000094 | CHEMBL103606 | Small molecule | -- | 621.2 | C33H37ClN4O4S | BASE | Details |
| B000095 | CHEMBL103667 | Small molecule | DORAMAPIMOD | 527.67 | C31H37N5O3 | NEUTRAL | Details |
| B000096 | CHEMBL103782 | Small molecule | -- | 478.65 | C30H39FN2O2 | ZWITTERION | Details |
| B000097 | CHEMBL103790 | Small molecule | -- | 557.81 | C34H49N6O+ | ZWITTERION | Details |
| B000098 | CHEMBL103813 | Small molecule | -- | 504.76 | C33H48N2O2 | BASE | Details |
| B000099 | CHEMBL103820 | Small molecule | -- | 428.49 | C23H28N2O6 | NEUTRAL | Details |
| B000100 | CHEMBL103955 | Small molecule | CHAETOMELLIC ACID A | 326.48 | C19H34O4 | ACID | Details |