Compound Information | SONAR Target prediction | Name: | ROXITHROMYCIN | Unique Identifier: | SPE01503276 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 760.443 g/mol | X log p: | -1.64 (online calculus) | Lipinksi Failures | 2 | TPSA | 115.74 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 15 | Rotatable Bond Count: | 13 | 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(=NOCOCCOC)C(C)C(O)C1(C)O | Source: | semisynthetic; RU-28965, RU-965 | Therapeutics: | antibacterial |
Species: |
4932 |
Condition: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7227±0.000494975 |
Normalized OD Score: sc h |
0.9917±0.000983654 |
Z-Score: |
-0.5916±0.0296847 |
p-Value: |
0.554184 |
Z-Factor: |
-2.82203 |
Fitness Defect: |
0.5903 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 5|B3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.40 Celcius | Date: | 2008-05-14 YYYY-MM-DD | Plate CH Control (+): | 0.04015±0.00098 | Plate DMSO Control (-): | 0.7044250000000001±0.02021 | Plate Z-Factor: | 0.8994 |
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5106 |
6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4 ,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan -2-one |
54548 |
(3R,4S,5S,6R,7R,9R,11S,12R,13R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13 -trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,1 1,13-hexamethyl-1-oxacyclotetradecan-2-one |
444037 |
(3R,4S,5S,6R,7R,9R,11S,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-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-10-(2-methoxye thoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one |
5362068 |
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,1 2,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7 ,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one |
5480431 |
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]ox y-14-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-10-(2-meth oxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one |
5480438 |
(3R,4S,5S,6R,7R,9R,10E,12R,13R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13 -trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,1 1,13-hexamethyl-1-oxacyclotetradecan-2-one |
internal high similarity DBLink | Rows returned: 0 | |
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