| 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: |
WHI5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6430±0.000989949 |
| Normalized OD Score: sc h |
1.0029±0.0127296 |
| Z-Score: |
0.1122±0.395587 |
| p-Value: |
0.781038 |
| Z-Factor: |
-6.362 |
| Fitness Defect: |
0.2471 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2005-04-20 YYYY-MM-DD | | Plate CH Control (+): | 0.046475±0.00089 | | Plate DMSO Control (-): | 0.660975±0.05638 | | Plate Z-Factor: | 0.7296 |
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pdf |
| 288603 |
8-(hydroxymethyl)-4b,8-dimethyl-2,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-3-one |
| 298135 |
1-[(4aS,4bS,6aR,7S,10aS,10bS)-7-(1-hydroxyethyl)-4a,6a-dimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12
a-hexadecahydrochrysen-2-yl]ethanone |
| 301437 |
17-hydroxy-2,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthre
n-3-one |
| 301438 |
17-hydroxy-2,7,10,13,17-pentamethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren
-3-one |
| 352068 |
17-ethyl-17-hydroxy-5,13-dimethyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-
3-one |
| 352069 |
17-hydroxy-5,13-dimethyl-1,2,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
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