| Compound Information | SONAR Target prediction | | Name: | 3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one | | Unique Identifier: | LOPAC 01126 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H34O3 | | Molecular Weight: | 301.231 g/mol | | X log p: | -0.154 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC12CCC(O)CC1CCC1C3CCC(C(=O)CO)C3(C)CCC12 | | Class: | GABA | | Action: | Modulator | | Selectivity: | GABA-A |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6166±0.0250316 |
| Normalized OD Score: sc h |
0.9637±0.000446481 |
| Z-Score: |
-0.9939±0.0668404 |
| p-Value: |
0.320828 |
| Z-Factor: |
-2.06804 |
| Fitness Defect: |
1.1369 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 12|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.039900000000000005±0.00217 | | Plate DMSO Control (-): | 0.6669±0.01835 | | Plate Z-Factor: | 0.9014 |
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ps
pdf |
| 6950391 |
(1S,2R,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-one |
| 6950454 |
(1R,2R,5S)-2-hydroxy-2,6,6-trimethyl-norpinan-3-one |
| 6954768 |
1-[(3R,5R,8R,9S,10R,13R,14S,16S,17S)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-
tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
| 6955224 |
1-[(3S,5R,8R,9S,10R,13R,14S,16S,17S)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-
tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
| 6978729 |
(1S,2S,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-one |
| 6981581 |
1-[(3R,5S,8R,9S,10S,13R,14S,16S,17S)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-
tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
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