| Compound Information | SONAR Target prediction | | Name: | CORTISONE ACETATE | | Unique Identifier: | SPE01500207 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 372.242 g/mol | | X log p: | -0.534 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 77.51 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C | | Source: | semisynthetic | | Therapeutics: | glucocorticoid |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6894±0.0176777 |
| Normalized OD Score: sc h |
0.9610±0.00816689 |
| Z-Score: |
-2.0655±0.388025 |
| p-Value: |
0.0462784 |
| Z-Factor: |
-0.947911 |
| Fitness Defect: |
3.0731 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 3|G6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.50 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.039724999999999996±0.00061 | | Plate DMSO Control (-): | 0.71515±0.01123 | | Plate Z-Factor: | 0.9461 |
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ps
pdf |
| 2863 |
[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl
)-2-oxo-ethyl] acetate |
| 5745 |
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclop
enta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 225758 |
[2-[(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-4,5,6,7,8,9,12,14,15,16-decahydrocyc
lopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 232398 |
[2-[(6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydro
cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 232428 |
[2-(17-hydroxy-2,10,13-trimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17
-yl)-2-oxo-ethyl] acetate |
| 355340 |
[2-[(8S,10R,13S)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phen
anthren-17-yl]-2-oxo-ethyl] acetate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 11390 | Additional Members: 8 | Rows returned: 0 | |
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