| Compound Information | SONAR Target prediction | | Name: | ERYTHROMYCIN ESTOLATE | | Unique Identifier: | SPE01501176 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 958.618 g/mol | | X log p: | -2.205 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 119.06 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 15 | | Rotatable Bond Count: | 10 | | Canonical Smiles: | CCCCCCCCCCCCOS(O)(=O)=O.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(O
C2OC(C)CC(C2OC(=O)CC)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O | | Source: | Streptomyces erythreus | | Therapeutics: | antibacterial |
| Species: |
4932 |
| Condition: |
SPE01500736 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5949±0.0311127 |
| Normalized OD Score: sc h |
0.7773±0.0149527 |
| Z-Score: |
-5.9437±0.518732 |
| p-Value: |
0.0000000123834 |
| Z-Factor: |
0.288696 |
| Fitness Defect: |
18.2069 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|D6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.20 Celcius | | Date: | 2006-11-17 YYYY-MM-DD | | Plate CH Control (+): | 0.0392±0.00235 | | Plate DMSO Control (-): | 0.7878499999999999±0.03266 | | Plate Z-Factor: | 0.8850 |
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| DBLink | Rows returned: 3 | |
| 19037 |
[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] propanoate; 1-sulfooxydodecane |
| 429694 |
[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] propanoate;
1-sulfooxydodecane |
| 441371 |
[(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] propanoate; 1-sulfooxydodecane |
| internal high similarity DBLink | Rows returned: 0 | |
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