| 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: |
MT2481-pdr1pdr3-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5885±0.00353553 |
| Normalized OD Score: sc h |
0.9936±0.000611063 |
| Z-Score: |
-0.7272±0.0632813 |
| p-Value: |
0.46753 |
| Z-Factor: |
-3.30935 |
| Fitness Defect: |
0.7603 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 20|C3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.30 Celcius | | Date: | 2008-08-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041225±0.00431 | | Plate DMSO Control (-): | 0.579725±0.01239 | | Plate Z-Factor: | 0.9326 |
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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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