| Compound Information | SONAR Target prediction | | Name: | 5alpha-Pregnan-3alpha-ol-20-one | | Unique Identifier: | LOPAC 01166 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H34O2 | | Molecular Weight: | 285.231 g/mol | | X log p: | 0.313 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C | | Class: | GABA | | Action: | Modulator | | Selectivity: | GABA-A | | Generic_name: | AETIOCHOLANOLONE | | Chemical_iupac_name: | AETIOCHOLANOLONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00443 | | Drug_category: | Alcohol Sulfotransferase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
BY4741 |
| Replicates: |
8 |
| Raw OD Value: r im |
0.7604±0.0402769 |
| Normalized OD Score: sc h |
1.0029±0.0245073 |
| Z-Score: |
0.1491±0.785467 |
| p-Value: |
0.49216 |
| Z-Factor: |
-26.5975 |
| Fitness Defect: |
0.709 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.80 Celcius | | Date: | 2005-04-07 YYYY-MM-DD | | Plate CH Control (+): | 0.04800625000000002±0.00227 | | Plate DMSO Control (-): | 0.7375000000000003±0.02694 | | Plate Z-Factor: | 0.9214 |
|  png
ps
pdf |
| 3653181 |
7-hydroxy-2,4b-dimethyl-2,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-one |
| 3879731 |
2-(11-hydroxyundecyl)cyclopentan-1-one |
| 4045133 |
14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
| 4059478 |
n/a |
| 4255291 |
1-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthr
en-17-yl)ethanone |
| 4311278 |
n/a |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
|
