| Compound Information | SONAR Target prediction | | Name: | HYDROCORTISONE PHOSPHATE TRIETHYLAMINE | | Unique Identifier: | SPE01500340 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 457.173 g/mol | | X log p: | -2.384 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 116.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 8 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)C
C21C | | Source: | semisynthetic | | Therapeutics: | glucocorticoid |
| Species: |
4932 |
| Condition: |
KEM1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6091±0.00586899 |
| Normalized OD Score: sc h |
0.9946±0.00401336 |
| Z-Score: |
-0.2270±0.183448 |
| p-Value: |
0.82189 |
| Z-Factor: |
-83.0141 |
| Fitness Defect: |
0.1961 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 18|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2008-05-08 YYYY-MM-DD | | Plate CH Control (+): | 0.04135±0.00046 | | Plate DMSO Control (-): | 0.593075±0.01578 | | Plate Z-Factor: | 0.9205 |
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ps
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| 5702070 |
disodium
(11S,17R)-11,17-dihydroxy-10,13-dimethyl-17-(2-phosphonatooxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-
1H-cyclopenta[a]phenanthren-3-one |
| 6602442 |
[2-[(11S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]ph
enanthren-17-yl]-2-oxo-ethoxy]phosphonic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 10196 | Additional Members: 12 | Rows returned: 0 | |
|
