| 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: |
MT2481-pdr1pdr3-1st |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6510±0.00445477 |
| Normalized OD Score: sc h |
1.0202±0.0106247 |
| Z-Score: |
0.9292±0.464136 |
| p-Value: |
0.378206 |
| Z-Factor: |
-2.88454 |
| Fitness Defect: |
0.9723 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 2|D10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2008-01-25 YYYY-MM-DD | | Plate CH Control (+): | 0.04045±0.00031 | | Plate DMSO Control (-): | 0.614525±0.01095 | | Plate Z-Factor: | 0.9424 |
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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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