| 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: |
MRC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8268±0.0115258 |
| Normalized OD Score: sc h |
1.0014±0.000607966 |
| Z-Score: |
0.1073±0.0543732 |
| p-Value: |
0.914638 |
| Z-Factor: |
-8.06915 |
| Fitness Defect: |
0.0892 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2005-12-06 YYYY-MM-DD | | Plate CH Control (+): | 0.039474999999999996±0.19527 | | Plate DMSO Control (-): | 0.784625±0.01861 | | Plate Z-Factor: | 0.9145 |
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ps
pdf |
| 5320371 |
(4R,4aR,6bR,8S,8aS,12aR,14aS)-8-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13
,14,14b-tetradecahydro-1H-picen-3-one |
| 5459009 |
(4aS,6aR,6aR,6bR,8aR,9R,12aR,14aR,14bR)-14a-(hydroxymethyl)-2,2,4a,6a,6a,8a,9-heptamethyl-1,4,5,6,6b,7,8
,9,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione |
| 5459041 |
n/a |
| 5701989 |
(3R,5R,10S,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phe
nanthren-17-one |
| 6420080 |
(3R,5R,8R,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopent
a[a]phenanthren-17-one |
| 6427588 |
(6R)-6-hydroxydecalin-2-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
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