| 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: |
NUM1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7506±0.0100409 |
| Normalized OD Score: sc h |
1.0081±0.000862329 |
| Z-Score: |
0.4959±0.00520576 |
| p-Value: |
0.619984 |
| Z-Factor: |
-5.19715 |
| Fitness Defect: |
0.4781 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2005-11-30 YYYY-MM-DD | | Plate CH Control (+): | 0.038675±0.00070 | | Plate DMSO Control (-): | 0.731975±0.01029 | | Plate Z-Factor: | 0.9439 |
|  png
ps
pdf |
| 3481851 |
n/a |
| 3516474 |
3-hydroxy-10,11,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-
one |
| 3542566 |
17-hydroxy-4,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3
-one |
| 3557559 |
1-(3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant
hren-17-yl)ethanone |
| 3582749 |
17-hydroxy-2,10,13-trimethyl-17-propyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanth
ren-3-one |
| 3597368 |
1-[7-(1-hydroxyethyl)-4a,6a-dimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl
]ethanone |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
|
