| 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: |
BIK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6828±0.00714178 |
| Normalized OD Score: sc h |
1.0132±0.00303741 |
| Z-Score: |
0.5780±0.137723 |
| p-Value: |
0.565082 |
| Z-Factor: |
-4.43484 |
| Fitness Defect: |
0.5708 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|B11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.80 Celcius | | Date: | 2007-11-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0406±0.00245 | | Plate DMSO Control (-): | 0.663125±0.01695 | | Plate Z-Factor: | 0.9134 |
|  png
ps
pdf |
| 151150 |
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahy
drocyclopenta[a]phenanthrene-3,11-dione |
| 222786 |
(8S,9S,10R,13S,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 |
| 259691 |
(2R,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-dec
ahydrocyclopenta[a]phenanthrene-3,11-dione |
| 521440 |
17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren
e-3,11-dione |
| 561030 |
17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanth
rene-3,11-dione |
| 3011526 |
(17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phena
nthrene-3,11-dione |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 11390 | Additional Members: 8 | Rows returned: 0 | |
|
