| 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: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8284±0.0143543 |
| Normalized OD Score: sc h |
1.0038±0.00491971 |
| Z-Score: |
0.2683±0.346317 |
| p-Value: |
0.794606 |
| Z-Factor: |
-21.3981 |
| Fitness Defect: |
0.2299 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.00 Celcius | | Date: | 2005-12-07 YYYY-MM-DD | | Plate CH Control (+): | 0.171075±0.19517 | | Plate DMSO Control (-): | 0.8003±0.01034 | | Plate Z-Factor: | 0.9382 |
|  png
ps
pdf |
| 158469 |
n/a |
| 187923 |
octan-2-ol; octan-2-one |
| 193823 |
n/a |
| 205953 |
n/a |
| 205990 |
29-hydroxy-3,11-dimethyl-nonacosan-2-one |
| 225744 |
17-hydroxy-1,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3
-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
|
