| 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: |
MKK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8295±0.00777817 |
| Normalized OD Score: sc h |
0.9855±0.0103902 |
| Z-Score: |
-0.4227±0.319816 |
| p-Value: |
0.680312 |
| Z-Factor: |
-5.68644 |
| Fitness Defect: |
0.3852 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 22|A5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09075±0.00752 | | Plate DMSO Control (-): | 0.9630000000000001±0.02354 | | Plate Z-Factor: | 0.9097 |
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ps
pdf |
| 7048651 |
(8S,9R,10S,13R,14S,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 |
| 7048652 |
(8S,9R,10R,13R,14S,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 |
| 7048653 |
(8R,9R,10S,13R,14S,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 |
| 7048654 |
(8R,9R,10R,13R,14S,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 |
| 7093535 |
(8S,9R,10R,13S,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 |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 11390 | Additional Members: 8 | Rows returned: 0 | |
|
