| 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: |
GIM3 |
| Replicates: |
4 |
| Raw OD Value: r im |
0.4864±0.153877 |
| Normalized OD Score: sc h |
0.9437±0.0893767 |
| Z-Score: |
-1.0323±1.35425 |
| p-Value: |
0.35123 |
| Z-Factor: |
-22.9508 |
| Fitness Defect: |
1.0463 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.70 Celcius | | Date: | 2005-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0448625±0.00062 | | Plate DMSO Control (-): | 0.6159125±0.11120 | | Plate Z-Factor: | -0.1826 |
|  png
ps
pdf |
| 7052723 |
(5S,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-one |
| 7052724 |
(5S,8R,9S,10S,13S,14R)-14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-one |
| 7052725 |
(5S,8R,9S,10S,13R,14R)-14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-one |
| 7052734 |
(5R,8R,9S,10S,13S,14R)-14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-one |
| 7052735 |
(5R,8R,9S,10S,13R,14R)-14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-one |
| 7052736 |
(5R,8S,9S,10S,13S,14R)-14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
|
