| 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: |
NOP16 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7458±0.0103238 |
| Normalized OD Score: sc h |
1.0006±0.00897464 |
| Z-Score: |
0.0048±0.415886 |
| p-Value: |
0.768702 |
| Z-Factor: |
-9.34458 |
| Fitness Defect: |
0.2631 |
| 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: | 2005-04-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0451±0.00233 | | Plate DMSO Control (-): | 0.707475±0.02821 | | Plate Z-Factor: | 0.8417 |
|  png
ps
pdf |
| 537619 |
8-hydroxy-5-propan-2-yl-nonan-2-one |
| 540784 |
6-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenan
thren-17-yl)-2-methyl-heptan-3-one |
| 557102 |
7-(3-hydroxypropyl)norbornan-2-one |
| 561925 |
3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17
-one |
| 565259 |
7-(2-hydroxyethyl)bicyclo[3.2.1]octan-3-one |
| 565504 |
n/a |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
|
