Compound Information | SONAR Target prediction | Name: | Roxithromycin | Unique Identifier: | Prest1046 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C41H76N2O15 | Molecular Weight: | 761.451 g/mol | X log p: | -1.85 (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 |
Species: |
9606 |
Condition: |
TMPPre002 |
Replicates: |
2 |
Raw OD Value: r im |
6160.0000±0 |
Normalized OD Score: sc h |
0.9478±0 |
Z-Score: |
-1.1765±0 |
p-Value: |
0.239386 |
Z-Factor: |
-8.67481 |
Fitness Defect: |
1.4297 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 11|F5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.20 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 853.5±701.09504 | Plate DMSO Control (-): | 849±311.18603 | Plate Z-Factor: | -72.3031 |
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5837004 |
(10Z)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-met hoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetr adecan-2-one |
6426702 |
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-6-[(2S,4R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-e thyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimin o)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one |
6604440 |
(3R,4R,5S,6S,7R,9S,10E,11S,12S,13R,14S)-6-[(2S,3S,4R,6S)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]ox y-14-ethyl-7,12,13-trihydroxy-4-[(2R,4S,5R,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 |
6915744 |
(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 |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 14145 | Additional Members: 11 | Rows returned: 1 | |
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