| 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: |
NUM1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7900±0.0183141 |
| Normalized OD Score: sc h |
1.0062±0.0159194 |
| Z-Score: |
0.3342±0.941327 |
| p-Value: |
0.528858 |
| Z-Factor: |
-6.47877 |
| Fitness Defect: |
0.637 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 8|G4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2005-11-30 YYYY-MM-DD | | Plate CH Control (+): | 0.03925±0.00110 | | Plate DMSO Control (-): | 0.769975±0.02725 | | Plate Z-Factor: | 0.9542 |
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ps
pdf |
| 1778039 |
4-[2-[(8R,9S,10S,11R,13S,14R,17S)-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 |
| 1778040 |
4-[2-[(8R,9S,10S,11R,13S,14R,17S)-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 |
| 4636604 |
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 |
| 5702069 |
4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclo
penta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid |
| 6326361 |
4-[2-[(8S,10R,11S,13S)-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 |
| 6426639 |
4-[2-[(17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phen
anthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 10196 | Additional Members: 12 | Rows returned: 0 | |
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