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: |
YPT6 |
Replicates: |
2 |
Raw OD Value: r im |
0.5410±0.0222739 |
Normalized OD Score: sc h |
1.0139±0.00567518 |
Z-Score: |
0.1332±0.0388667 |
p-Value: |
0.894086 |
Z-Factor: |
-5.88097 |
Fitness Defect: |
0.112 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 20|C3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.70 Celcius | Date: | 2008-06-05 YYYY-MM-DD | Plate CH Control (+): | 0.041124999999999995±0.00110 | Plate DMSO Control (-): | 0.5084750000000001±0.01236 | Plate Z-Factor: | 0.9015 |
| png ps pdf |
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 | |
|