Compound Information | SONAR Target prediction | Name: | CORTISONE | Unique Identifier: | SPE01701028 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 332.222 g/mol | X log p: | -0.578 (online calculus) | Lipinksi Failures | 0 | TPSA | 51.21 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(=O)C12 | Class: | sterol | Source: | adrenal cortical hormone | Reference: | Helv Chim Acta 19:1107 (1936); 20:978 (1937); JACS 70:1454 (1948) | Therapeutics: | antiinflammatory, glucocorticoid |
Species: |
4932 |
Condition: |
UBP6 |
Replicates: |
2 |
Raw OD Value: r im |
0.6545±0.00148492 |
Normalized OD Score: sc h |
1.0036±0.0170104 |
Z-Score: |
0.1213±0.676667 |
p-Value: |
0.634808 |
Z-Factor: |
-875.93 |
Fitness Defect: |
0.4544 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 24|E8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.90 Celcius | Date: | 2008-01-24 YYYY-MM-DD | Plate CH Control (+): | 0.0427±0.00087 | Plate DMSO Control (-): | 0.617425±0.01804 | Plate Z-Factor: | 0.9075 |
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151150 |
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahy drocyclopenta[a]phenanthrene-3,11-dione |
222786 |
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydro cyclopenta[a]phenanthrene-3,11-dione |
259691 |
(2R,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-dec ahydrocyclopenta[a]phenanthrene-3,11-dione |
521440 |
17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren e-3,11-dione |
561030 |
17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanth rene-3,11-dione |
3011526 |
(17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phena nthrene-3,11-dione |
internal high similarity DBLink | Rows returned: 2 | |
nonactive | Cluster 11390 | Additional Members: 8 | Rows returned: 6 | |
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