| Compound Information | SONAR Target prediction | | Name: | HYDROCORTISONE ACETATE | | Unique Identifier: | SPE01500338 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 372.242 g/mol | | X log p: | -0.682 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | 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, antiinflammatory |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7414±0.0138593 |
| Normalized OD Score: sc h |
1.0220±0.00346563 |
| Z-Score: |
1.1700±0.209504 |
| p-Value: |
0.24717 |
| Z-Factor: |
-1.18446 |
| Fitness Defect: |
1.3977 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0403±0.00082 | | Plate DMSO Control (-): | 0.7129749999999999±0.01080 | | Plate Z-Factor: | 0.9359 |
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ps
pdf |
| 3641 |
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-
17-yl)-2-oxo-ethyl] acetate |
| 5744 |
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-
1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 102056 |
[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-
1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 105029 |
[2-[(8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 223250 |
[2-[(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-2,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca
hydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 227848 |
[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca
hydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| internal high similarity DBLink | Rows returned: 7 | << Back 1 2 |
| active | Cluster 10196 | Additional Members: 12 | Rows returned: 0 | |
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