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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C-C chemokine receptor type 23076 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 |
B000014 | CHEMBL1006 | Small molecule | AMIFOSTINE | 214.23 | C5H15N2O3PS | ZWITTERION | Details |
B000021 | CHEMBL1009 | Small molecule | LEVODOPA | 197.19 | C9H11NO4 | ZWITTERION | Details |
B000025 | CHEMBL101 | Small molecule | PHENYLBUTAZONE | 308.38 | C19H20N2O2 | ACID | Details |
B000032 | CHEMBL101168 | Small molecule | -- | 134.14 | C6H6N4 | NEUTRAL | Details |
B000049 | CHEMBL1016 | Small molecule | CANDESARTAN | 440.46 | C24H20N6O3 | ACID | Details |
B000065 | CHEMBL1020 | Small molecule | TOLMETIN | 257.29 | C15H15NO3 | ACID | Details |
B000075 | CHEMBL1024 | Small molecule | IFOSFAMIDE | 261.09 | C7H15Cl2N2O2P | NEUTRAL | Details |
B000083 | CHEMBL103 | Small molecule | PROGESTERONE | 314.47 | C21H30O2 | NEUTRAL | Details |
B000084 | CHEMBL10309 | Small molecule | -- | 441.37 | C23H25BrN2O2 | NEUTRAL | Details |
B000101 | CHEMBL104 | Small molecule | CLOTRIMAZOLE | 344.85 | C22H17ClN2 | NEUTRAL | Details |
B000104 | CHEMBL1042 | Small molecule | CHOLECALCIFEROL | 384.65 | C27H44O | NEUTRAL | Details |
B000115 | CHEMBL104474 | Small molecule | -- | 522.69 | C33H38N4O2 | BASE | Details |
B000120 | CHEMBL1046 | Small molecule | AMINOCAPROIC ACID | 131.18 | C6H13NO2 | ZWITTERION | Details |
B000126 | CHEMBL104698 | Small molecule | -- | 647.82 | C39H45N5O4 | BASE | Details |
B000129 | CHEMBL104793 | Small molecule | -- | 633.79 | C38H43N5O4 | BASE | Details |
B000136 | CHEMBL105 | Small molecule | MITOMYCIN | 334.33 | C15H18N4O5 | NEUTRAL | Details |
B000140 | CHEMBL1054 | Small molecule | TRICHLORMETHIAZIDE | 380.66 | C8H8Cl3N3O4S2 | NEUTRAL | Details |
B000146 | CHEMBL1055 | Small molecule | CHLORTHALIDONE | 338.77 | C14H11ClN2O4S | NEUTRAL | Details |
B000148 | CHEMBL105570 | Small molecule | -- | 581.72 | C34H39N5O4 | BASE | Details |
B000152 | CHEMBL105659 | Small molecule | -- | 536.72 | C34H40N4O2 | BASE | Details |
B000157 | CHEMBL105975 | Small molecule | -- | 656.23 | C37H42ClN5O4 | BASE | Details |
B000161 | CHEMBL106 | Small molecule | FLUCONAZOLE | 306.28 | C13H12F2N6O | NEUTRAL | Details |
B000165 | CHEMBL1062 | Small molecule | HYDROXYPROGESTERONE | 330.47 | C21H30O3 | NEUTRAL | Details |
B000174 | CHEMBL1064 | Small molecule | SIMVASTATIN | 418.57 | C25H38O5 | NEUTRAL | Details |
B000176 | CHEMBL1065 | Small molecule | METHYSERGIDE | 353.47 | C21H27N3O2 | NEUTRAL | Details |
B000183 | CHEMBL1068 | Small molecule | OXCARBAZEPINE | 252.27 | C15H12N2O2 | NEUTRAL | Details |
B000184 | CHEMBL106803 | Small molecule | -- | 567.69 | C33H37N5O4 | BASE | Details |
B000185 | CHEMBL1069 | Small molecule | VALSARTAN | 435.53 | C24H29N5O3 | ACID | Details |
B000186 | CHEMBL106907 | Small molecule | -- | 635.81 | C38H45N5O4 | BASE | Details |
B000189 | CHEMBL107 | Small molecule | COLCHICINE | 399.44 | C22H25NO6 | NEUTRAL | Details |
B000190 | CHEMBL1070 | Small molecule | NABUMETONE | 228.29 | C15H16O2 | NEUTRAL | Details |
B000193 | CHEMBL1071 | Small molecule | OXAPROZIN | 293.32 | C18H15NO3 | ACID | Details |
B000194 | CHEMBL107128 | Small molecule | -- | 668.24 | C38H42ClN5O4 | BASE | Details |
B000198 | CHEMBL1073 | Small molecule | GLIPIZIDE | 445.55 | C21H27N5O4S | ACID | Details |
B000203 | CHEMBL107439 | Small molecule | -- | 682.27 | C39H44ClN5O4 | BASE | Details |
B000229 | CHEMBL1076211 | Small molecule | TOLPERISONE | 245.37 | C16H23NO | BASE | Details |
B000236 | CHEMBL1076522 | Small molecule | -- | 329.18 | C14H14Cl2N2O3 | ACID | Details |
B000271 | CHEMBL1077 | Small molecule | BROMFENAC | 334.17 | C15H12BrNO3 | ACID | Details |
B000322 | CHEMBL1078231 | Small molecule | -- | 555.76 | C31H49N5O4 | BASE | Details |
B000379 | CHEMBL108 | Small molecule | CARBAMAZEPINE | 236.27 | C15H12N2O | NEUTRAL | Details |
B000501 | CHEMBL1082 | Small molecule | AMOXICILLIN | 365.41 | C16H19N3O5S | ACID | Details |
B000593 | CHEMBL108545 | Small molecule | METHYL SALICYLATE | 152.15 | C8H8O3 | NEUTRAL | Details |
B000635 | CHEMBL1087 | Small molecule | MEPIVACAINE | 246.35 | C15H22N2O | NEUTRAL | Details |
B000699 | CHEMBL1088810 | Small molecule | -- | 545.61 | C28H34F3N5O3 | NEUTRAL | Details |
B000701 | CHEMBL1088874 | Small molecule | -- | 565.04 | C28H32ClF3N4O3 | BASE | Details |
B000702 | CHEMBL1088875 | Small molecule | -- | 565.04 | C28H32ClF3N4O3 | BASE | Details |
B000708 | CHEMBL1088930 | Small molecule | -- | 607.74 | C31H40F3N3O4S | BASE | Details |
B000709 | CHEMBL1088933 | Small molecule | -- | 620.74 | C31H39F3N4O4S | BASE | Details |
B000710 | CHEMBL1089 | Small molecule | PHENELZINE | 136.2 | C8H12N2 | NEUTRAL | Details |
B000734 | CHEMBL1089549 | Small molecule | -- | 546.59 | C28H33F3N4O4 | BASE | Details |
B000735 | CHEMBL1089550 | Small molecule | -- | 545.61 | C28H34F3N5O3 | BASE | Details |
B000736 | CHEMBL1089629 | Small molecule | -- | 598.59 | C29H32F6N4O3 | BASE | Details |
B000744 | CHEMBL1089793 | Small molecule | -- | 567.56 | C27H30F5N5O3 | NEUTRAL | Details |
B000749 | CHEMBL1089849 | Small molecule | -- | 599.48 | C28H31Cl2F3N4O3 | BASE | Details |
B000752 | CHEMBL1089864 | Small molecule | -- | 566.65 | C27H33F3N4O4S | BASE | Details |
B000755 | CHEMBL1089881 | Small molecule | -- | 548.58 | C28H32F4N4O3 | BASE | Details |
B000758 | CHEMBL1089965 | Small molecule | -- | 544.62 | C29H35F3N4O3 | BASE | Details |
B000761 | CHEMBL109 | Small molecule | VALPROIC ACID | 144.21 | C8H16O2 | ACID | Details |
B000770 | CHEMBL1090148 | Small molecule | -- | 545.61 | C28H34F3N5O3 | NEUTRAL | Details |
B000776 | CHEMBL1090191 | Small molecule | -- | 510.6 | C26H37F3N4O3 | BASE | Details |
B000780 | CHEMBL1090206 | Small molecule | -- | 544.62 | C29H35F3N4O3 | BASE | Details |
B000793 | CHEMBL1090548 | Small molecule | -- | 544.62 | C29H35F3N4O3 | BASE | Details |
B000798 | CHEMBL1090561 | Small molecule | -- | 565.66 | C28H34F3N3O4S | NEUTRAL | Details |
B000799 | CHEMBL1090562 | Small molecule | -- | 593.67 | C29H34F3N3O5S | BASE | Details |
B000809 | CHEMBL1090852 | Small molecule | -- | 516.61 | C28H35F3N4O2 | BASE | Details |
B000819 | CHEMBL1090893 | Small molecule | -- | 593.71 | C30H38F3N3O4S | BASE | Details |
B000824 | CHEMBL1091171 | Small molecule | -- | 559.63 | C29H36F3N5O3 | BASE | Details |
B000825 | CHEMBL1091172 | Small molecule | -- | 559.63 | C29H36F3N5O3 | BASE | Details |
B000832 | CHEMBL1091266 | Small molecule | -- | 594.7 | C29H37F3N4O4S | BASE | Details |
B000852 | CHEMBL1091604 | Small molecule | -- | 553.65 | C27H34F3N3O4S | BASE | Details |
B000853 | CHEMBL1091605 | Small molecule | -- | 579.69 | C29H36F3N3O4S | BASE | Details |
B000875 | CHEMBL1092231 | Small molecule | -- | 531.58 | C27H32F3N5O3 | BASE | Details |
B000879 | CHEMBL1092238 | Small molecule | -- | 566.02 | C27H31ClF3N5O3 | NEUTRAL | Details |
B000883 | CHEMBL1092293 | Small molecule | -- | 558.65 | C30H37F3N4O3 | BASE | Details |
B000884 | CHEMBL1092294 | Small molecule | -- | 572.67 | C31H39F3N4O3 | BASE | Details |
B000888 | CHEMBL1092343 | Small molecule | -- | 545.61 | C28H34F3N5O3 | NEUTRAL | Details |
B000893 | CHEMBL1092433 | Small molecule | -- | 608.68 | C29H35F3N4O5S | NEUTRAL | Details |
B000894 | CHEMBL1092434 | Small molecule | -- | 634.72 | C31H37F3N4O5S | NEUTRAL | Details |
B000895 | CHEMBL1092435 | Small molecule | -- | 634.72 | C31H37F3N4O5S | NEUTRAL | Details |
B000902 | CHEMBL1092632 | Small molecule | -- | 558.65 | C30H37F3N4O3 | BASE | Details |
B000906 | CHEMBL1092656 | Small molecule | -- | 548.58 | C28H32F4N4O3 | BASE | Details |
B000907 | CHEMBL1092678 | Small molecule | -- | 593.71 | C30H38F3N3O4S | BASE | Details |
B000909 | CHEMBL1092739 | Small molecule | -- | 620.74 | C31H39F3N4O4S | BASE | Details |
B000910 | CHEMBL1092748 | Small molecule | -- | 647.68 | C30H35F6N3O4S | BASE | Details |
B000919 | CHEMBL1092920 | Small molecule | -- | 548.58 | C28H32F4N4O3 | BASE | Details |
B000920 | CHEMBL1092921 | Small molecule | -- | 566.57 | C28H31F5N4O3 | BASE | Details |
B000921 | CHEMBL1092929 | Small molecule | -- | 530.59 | C28H33F3N4O3 | BASE | Details |
B000922 | CHEMBL1092930 | Small molecule | -- | 531.58 | C27H32F3N5O3 | BASE | Details |
B000925 | CHEMBL1092940 | Small molecule | -- | 511.69 | C28H37N3O4S | BASE | Details |
B000926 | CHEMBL1092941 | Small molecule | -- | 597.68 | C29H35F4N3O4S | BASE | Details |
B000934 | CHEMBL1093137 | Small molecule | -- | 488.64 | C31H32N6 | NEUTRAL | Details |
B000936 | CHEMBL1093153 | Small molecule | -- | 545.61 | C28H34F3N5O3 | NEUTRAL | Details |
B000937 | CHEMBL1093154 | Small molecule | -- | 549.57 | C27H31F4N5O3 | NEUTRAL | Details |
B000946 | CHEMBL1093300 | Small molecule | -- | 580.65 | C32H35F3N4O3 | BASE | Details |
B000947 | CHEMBL1093318 | Small molecule | -- | 607.74 | C31H40F3N3O4S | BASE | Details |
B000948 | CHEMBL1093319 | Small molecule | -- | 639.81 | C31H40F3N3O4S2 | BASE | Details |
B000949 | CHEMBL1093320 | Small molecule | -- | 607.74 | C31H40F3N3O4S | BASE | Details |
B000959 | CHEMBL1093469 | Small molecule | -- | 531.58 | C27H32F3N5O3 | NEUTRAL | Details |
B000960 | CHEMBL1093470 | Small molecule | -- | 545.61 | C28H34F3N5O3 | NEUTRAL | Details |