| Compound Information | SONAR Target prediction | | Name: | HYDROCORTISONE BUTYRATE | | Unique Identifier: | SPE01503273 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 397.272 g/mol | | X log p: | -0.605 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C(=O)CO | | Source: | semisynthetic | | Therapeutics: | glucocorticoid, antiinflammatory |
| Species: |
4932 |
| Condition: |
pdr_yCG196 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8090±0.0240416 |
| Normalized OD Score: sc h |
1.0485±0.0403188 |
| Z-Score: |
1.6272±1.36078 |
| p-Value: |
0.257832 |
| Z-Factor: |
-2.28232 |
| Fitness Defect: |
1.3554 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 7|H11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.08925±0.00980 | | Plate DMSO Control (-): | 0.95325±0.01358 | | Plate Z-Factor: | 0.9465 |
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ps
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| DBLink | Rows returned: 6 | |
| 3642 |
[11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a
]phenanthren-17-yl] butanoate |
| 26133 |
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,
16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate |
| 42395 |
[(17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclop
enta[a]phenanthren-17-yl] pentanoate |
| 5225092 |
[11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a
]phenanthren-17-yl] pentanoate |
| 5282494 |
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,
16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate |
| 5702240 |
[(8S,10R,11S,13S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca
hydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 10196 | Additional Members: 12 | Rows returned: 0 | |
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