Compound Information | SONAR Target prediction | Name: | Hydrocortisone 21-hemisuccinate sodium | Unique Identifier: | LOPAC 00944 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C25H33NaO8 | Molecular Weight: | 454.276 g/mol | X log p: | -1.279 (online calculus) | Lipinksi Failures | 0 | TPSA | 100.57 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 8 | Rotatable Bond Count: | 7 | Canonical Smiles: | [Na+].[O-]C(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C | Class: | Hormone | Selectivity: | Cortisol |
Species: |
4932 |
Condition: |
HOC1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6053±0.0127986 |
Normalized OD Score: sc h |
1.0042±0.0034879 |
Z-Score: |
0.1984±0.177884 |
p-Value: |
0.843988 |
Z-Factor: |
-57.0651 |
Fitness Defect: |
0.1696 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 8|G4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.60 Celcius | Date: | 2005-11-24 YYYY-MM-DD | Plate CH Control (+): | 0.0393±0.00118 | Plate DMSO Control (-): | 0.597325±0.01238 | Plate Z-Factor: | 0.9367 |
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3643 |
4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthre n-17-yl)-2-oxo-ethoxy]-4-oxo-butanoic acid |
16623 |
4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydr o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid |
31314 |
sodium 4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthre n-17-yl)-2-oxo-ethoxy]-4-oxo-butanoate |
219121 |
4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydr o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid hydrate |
246168 |
4-[2-[(8R,10S,11R,13R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclop enta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid |
441408 |
sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydr o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 10196 | Additional Members: 12 | Rows returned: 0 | |
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