| 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: |
NAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7077±0.0086267 |
| Normalized OD Score: sc h |
1.0009±0.0114934 |
| Z-Score: |
0.0489±0.682981 |
| p-Value: |
0.629548 |
| Z-Factor: |
-24.4973 |
| Fitness Defect: |
0.4628 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|E8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.040575±0.00047 | | Plate DMSO Control (-): | 0.6898500000000001±0.01374 | | Plate Z-Factor: | 0.9232 |
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ps
pdf |
| 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 | |
|
