| 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: |
GIM3 |
| Replicates: |
4 |
| Raw OD Value: r im |
0.6122±0.0364486 |
| Normalized OD Score: sc h |
1.2933±0.377446 |
| Z-Score: |
4.9651±6.14898 |
| p-Value: |
0.073543 |
| Z-Factor: |
-3.0218 |
| Fitness Defect: |
2.6099 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 12|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.70 Celcius | | Date: | 2005-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0453±0.00117 | | Plate DMSO Control (-): | 0.635275±0.14583 | | Plate Z-Factor: | 0.0916 |
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ps
pdf |
| 6566055 |
(5S,8R,9S,10S,13S,14R,17R)-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,1
5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one |
| 6572678 |
(2R,4aS,6aR,6aR,6bS,8aR,12aR,14aR,14bR)-2-hydroxy-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,6b,7,8,9,10
,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one |
| 6572991 |
1-[(3R,5S,8S,9R,10R,13R,14S,16S,17R)-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 |
| 6574053 |
(5S,8S,9R,10R,13R,14S,16S,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dode
cahydro-1H-cyclopenta[a]phenanthren-3-one |
| 6603966 |
2-hydroxy-1-[(3S,5S,8S,9R,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-te
tradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| 6941965 |
1-[(3R,5R,8R,9S,10S,13R,14S,16R,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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