| Compound Information | SONAR Target prediction |
| Name: | MEPARTRICIN |
| Unique Identifier: | SPE01503432 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C60H88N2O19 |
| Molecular Weight: | 1052.64 g/mol |
| X log p: | 31.481 (online calculus) |
| Lipinksi Failures | 3 |
| TPSA | 114.43 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 21 |
| Rotatable Bond Count: | 12 |
| Canonical Smiles: | CNc1ccc(cc1)C(=O)CC(O)CCC(C)C1OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC2 (O)CC(O)C(C(CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC1C)O2)C(=O)OC |
| Source: | ex Streptomyces aureofaciens |
| Therapeutics: | antifungal, antiprotozoal |
| Found: 2 nonactive | as graph: single | with analogs | 1 2 Next >> |
| Species: | 4932 |
| Condition: | HTZ1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.0408±0.0000707107 |
| Normalized OD Score: sc h | 0.2253±0.122469 |
| Z-Score: | -3.9611±2.96063 |
| p-Value: | 0.030905 |
| Z-Factor: | -1.15138 |
| Fitness Defect: | 3.4768 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 3009009 | 33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hyd roxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatria conta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid |
| 3009010 | methyl 33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hyd roxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatria conta-19,21,23,25,27,29,31-heptaene-36-carboxylate |
| 6479652 | (19E,21E,23E,25E,27E,29E,31E)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7, 9,13,37-heptahydroxy-17-[5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,3 9-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid |
| 6479653 | methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7, 9,13,37-heptahydroxy-17-[5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,3 9-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate |
| 11981152 | methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-17-[7-(4 -aminophenyl)-5-hydroxy-7-oxo-heptan-2-yl]-1,3,5,7,9,13,37-heptahydroxy-18-methyl-11,15-dioxo-16,39-diox abicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate; methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7, 9,13,37-heptahydroxy-17-[5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,3 9-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 7118 | Additional Members: 11 | Rows returned: 5 |
| SPE01505560 | 0.392857142857143 |
| SPE01500446 | 0.229357798165138 |
| LAT005H11 | 0.229357798165138 |
| SPE01500122 | 0 |
| LAT006F08 | 0 |
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