| Compound Information | SONAR Target prediction |
| Name: | ERYTHROMYCIN ETHYLSUCCINATE |
| Unique Identifier: | SPE01500279 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 786.457 g/mol |
| X log p: | -2.199 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 145.36 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 17 |
| Rotatable Bond Count: | 14 |
| Canonical Smiles: | CCOC(=O)CCC(=O)OC1C(CC(C)OC1OC1C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(=O)O C(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC1(C)O)N(C)C |
| Source: | semisynthetic |
| Therapeutics: | antibacterial |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 21 22 23 24 25 26 27 28 29 30 Next >> [205] |
| Species: | 4932 |
| Condition: | BIM1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6866±0.00601041 |
| Normalized OD Score: sc h | 1.0101±0.0133476 |
| Z-Score: | 0.4904±0.643965 |
| p-Value: | 0.65813 |
| Z-Factor: | -7.39494 |
| Fitness Defect: | 0.4184 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 6 |
| 3256 | ethyl [4-dimethylamino-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,7 ,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] butanedioate |
| 14750 | ethyl [(2R,3S,4R,6S)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2 S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacycl otetradec-6-yl]oxy]-6-methyl-oxan-3-yl] butanedioate |
| 38844 | ethyl [4-dimethylamino-2-[[(3R,4S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy -4,6-dimethyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-ox an-3-yl] butanedioate |
| 443953 | ethyl [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2 S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacycl otetradec-6-yl]oxy]-6-methyl-oxan-3-yl] butanedioate |
| 456507 | ethyl [4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-meth oxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl -oxan-3-yl] butanedioate |
| 16049797 | [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5R,6R,7S,9R,11R,12S,13R,14R)-14-ethyl-7,12-dihydroxy-4-[(2R,4R ,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotet radec-6-yl]oxy]-6-methyl-oxan-3-yl] ethyl butanedioate |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01502203 | 0.9130 |
| active | Cluster 14145 | Additional Members: 11 | Rows returned: 1 |
| SPE01501176 | 0.195652173913043 |
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