Compound Information | SONAR Target prediction | Name: | CORTISONE | Unique Identifier: | SPE01701028 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 332.222 g/mol | X log p: | -0.578 (online calculus) | Lipinksi Failures | 0 | TPSA | 51.21 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(=O)C12 | Class: | sterol | Source: | adrenal cortical hormone | Reference: | Helv Chim Acta 19:1107 (1936); 20:978 (1937); JACS 70:1454 (1948) | Therapeutics: | antiinflammatory, glucocorticoid |
Species: |
4932 |
Condition: |
CLA4 |
Replicates: |
2 |
Raw OD Value: r im |
0.6891±0.00975807 |
Normalized OD Score: sc h |
1.0196±0.012539 |
Z-Score: |
0.8551±0.519052 |
p-Value: |
0.423564 |
Z-Factor: |
-8.75272 |
Fitness Defect: |
0.8591 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|B11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.70 Celcius | Date: | 2007-09-12 YYYY-MM-DD | Plate CH Control (+): | 0.03995±0.00138 | Plate DMSO Control (-): | 0.649±0.08564 | Plate Z-Factor: | 0.5642 |
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5316089 |
(10R,13S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,14-trimethyl-2,6,7,8,9,12,15,16-octahydro-1H-cyclope nta[a]phenanthrene-3,11-dione |
5460098 |
(8S,9S,10R,13S,14S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocycl openta[a]phenanthrene-3,11-dione |
6546961 |
(8S,9R,10R,13R,14S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydro cyclopenta[a]phenanthrene-3,11-dione |
6603771 |
(8S,9S,10S,13R,14R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydro cyclopenta[a]phenanthrene-3,11-dione |
6708812 |
(10R,13S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta [a]phenanthrene-3,11-dione |
6957675 |
(8R,9S,10S,13S,14R,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydro cyclopenta[a]phenanthrene-3,11-dione |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 11390 | Additional Members: 8 | Rows returned: 0 | |
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