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: |
TOP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5186±0.0019799 |
Normalized OD Score: sc h |
0.8625±0.00658387 |
Z-Score: |
-2.2214±0.215841 |
p-Value: |
0.0280826 |
Z-Factor: |
-6.42016 |
Fitness Defect: |
3.5726 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 15|E10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.60 Celcius | Date: | 2006-04-26 YYYY-MM-DD | Plate CH Control (+): | 0.0388±0.00155 | Plate DMSO Control (-): | 0.584075±0.11582 | Plate Z-Factor: | 0.2728 |
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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 | |
active | Cluster 14145 | Additional Members: 11 | Rows returned: 0 | |
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