| Compound Information | SONAR Target prediction |
| Name: | Erythromycin |
| Unique Identifier: | Prest205 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C37H67NO13 |
| Molecular Weight: | 666.395 g/mol |
| X log p: | -2.678 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 92.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 14 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C) (O)CC(C)C(=O)C(C)C(O)C1(C)O |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 2185.0000±0 |
| Normalized OD Score: sc h | 1.0605±0 |
| Z-Score: | 1.3646±0 |
| p-Value: | 0.172368 |
| Z-Factor: | -4.28835 |
| Fitness Defect: | 1.7581 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 36 | << Back 1 2 3 4 5 6 |
| 6540620 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hex amethyl-1-oxacyclotetradecane-2,10-dione |
| 6602506 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-et hyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hex amethyl-1-oxacyclotetradecane-2,10-dione |
| 6604221 | (3R,4R,5S,6S,7R,9S,11R,12S,13R,14S)-6-[(2S,3S,4R,6S)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13- hexamethyl-1-oxacyclotetradecane-2,10-dione |
| 6604684 | (3S,4R,5S,6S,7S,9S,11S,12S,13S,14S)-6-[(2S,3R,4R,6S)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13- hexamethyl-1-oxacyclotetradecane-2,10-dione |
| 6713919 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2R,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13- hexamethyl-1-oxacyclotetradecane-2,10-dione |
| 15986867 | (3R,4R,6S,7R,9S,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl- 7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamet hyl-1-oxacyclotetradecane-2,10-dione |
| internal high similarity DBLink | Rows returned: 0 |
| nonactive | Cluster 14145 | Additional Members: 11 | Rows returned: 10 | 1 2 Next >> |
| SPE01504144 | 0.320754716981132 |
| Prest923 | 0.320754716981132 |
| SPE01503276 | 0.264705882352941 |
| Prest1046 | 0.264705882352941 |
| SPE01500279 | 0.221052631578947 |
| SPE01503679 | 0.206521739130435 |
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