Compound Information | SONAR Target prediction | Name: | HYDROCORTISONE HEMISUCCINATE | Unique Identifier: | SPE01500339 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 428.263 g/mol | X log p: | -1.51 (online calculus) | Lipinksi Failures | 0 | TPSA | 77.51 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 8 | Rotatable Bond Count: | 7 | Canonical Smiles: | CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)COC(=O)CCC(O)=O)C3(C)CC(O)C12 | Source: | semisynthetic | Therapeutics: | glucocorticoid |
Species: |
4932 |
Condition: |
ARL3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6712±0.000212132 |
Normalized OD Score: sc h |
1.0035±0.00286402 |
Z-Score: |
0.1635±0.135996 |
p-Value: |
0.870682 |
Z-Factor: |
-763.67 |
Fitness Defect: |
0.1385 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 2|D10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.10 Celcius | Date: | 2008-06-11 YYYY-MM-DD | Plate CH Control (+): | 0.0403±0.00059 | Plate DMSO Control (-): | 0.657225±0.01365 | Plate Z-Factor: | 0.9334 |
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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 | |
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