| 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: |
MT2481-pdr1pdr3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6679±0.00608112 |
| Normalized OD Score: sc h |
0.9831±0.0112604 |
| Z-Score: |
-0.9734±0.699042 |
| p-Value: |
0.38703 |
| Z-Factor: |
-3.57993 |
| Fitness Defect: |
0.9493 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 12|E10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.80 Celcius | | Date: | 2005-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.046825000000000006±0.00100 | | Plate DMSO Control (-): | 0.6559250000000001±0.01369 | | Plate Z-Factor: | 0.9297 |
|  png
ps
pdf |
| 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 | 1 2 Next >> |
| nonactive | Cluster 7027 | Additional Members: 5 | Rows returned: 4 | |
|
