| 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: |
CCR4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6532±0.00452548 |
| Normalized OD Score: sc h |
1.0338±0.0254342 |
| Z-Score: |
1.4422±1.0921 |
| p-Value: |
0.264842 |
| Z-Factor: |
-5.73546 |
| Fitness Defect: |
1.3286 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.80 Celcius | | Date: | 2008-04-16 YYYY-MM-DD | | Plate CH Control (+): | 0.041725±0.00048 | | Plate DMSO Control (-): | 0.6106499999999999±0.02837 | | Plate Z-Factor: | 0.8421 |
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ps
pdf |
| 7093122 |
[2-[(8R,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 |
| 7093500 |
[2-[(6S,8S,9R,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 |
| 7213561 |
[2-[(5R,8S,9S,10S,11R,13S,14R,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16
-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 7213562 |
[2-[(5R,8S,9S,10S,11R,13S,14S,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16
-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 7213564 |
[2-[(5R,8R,9S,10S,11R,13S,14R,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16
-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 7213565 |
[2-[(5R,8R,9S,10S,11R,13S,14S,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16
-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 10196 | Additional Members: 12 | Rows returned: 0 | |
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