Compound Information | SONAR Target prediction | Name: | 5alpha-Pregnan-3alpha-ol-11,20-dione | Unique Identifier: | LOPAC 01140 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C21H32O3 | Molecular Weight: | 304.255 g/mol | X log p: | -0.808 (online calculus) | Lipinksi Failures | 0 | TPSA | 34.14 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 1 | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C | Class: | GABA | Action: | Modulator | Selectivity: | GABA-A |
Species: |
4932 |
Condition: |
HOC1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5486±0.0311127 |
Normalized OD Score: sc h |
0.9352±0.0144285 |
Z-Score: |
-2.9567±0.397394 |
p-Value: |
0.00433132 |
Z-Factor: |
-0.462069 |
Fitness Defect: |
5.4419 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 12|E10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.60 Celcius | Date: | 2005-11-24 YYYY-MM-DD | Plate CH Control (+): | 0.0411±0.00218 | Plate DMSO Control (-): | 0.58045±0.01014 | Plate Z-Factor: | 0.9244 |
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68930 |
(3R,5R,8S,9S,10S,13R,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetrad ecahydrocyclopenta[a]phenanthren-11-one |
101789 |
(3S,5S,8S,9S,10S,13R,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetrad ecahydrocyclopenta[a]phenanthren-11-one |
104845 |
(3R,5S,8S,9S,10S,13R,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetrad ecahydrocyclopenta[a]phenanthren-11-one |
114418 |
n/a |
256278 |
17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthr en-11-one |
656746 |
(3R,5S,10S,13R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclop enta[a]phenanthren-11-one |
internal high similarity DBLink | Rows returned: 7 | << Back 1 2 |
active | Cluster 7027 | Additional Members: 5 | Rows returned: 0 | |
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