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: |
BY4741 |
Replicates: |
8 |
Raw OD Value: r im |
0.7945±0.042591 |
Normalized OD Score: sc h |
0.9780±0.0427759 |
Z-Score: |
-0.7518±1.67739 |
p-Value: |
0.293728 |
Z-Factor: |
-58.1442 |
Fitness Defect: |
1.2251 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 12|B8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.80 Celcius | Date: | 2005-04-07 YYYY-MM-DD | Plate CH Control (+): | 0.04828125±0.00201 | Plate DMSO Control (-): | 0.7658250000000002±0.03188 | Plate Z-Factor: | 0.8701 |
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7345187 |
(1R)-1-(1-adamantyl)-1-hydroxy-propan-2-one |
7345188 |
(1S)-1-(1-adamantyl)-1-hydroxy-propan-2-one |
7453454 |
1-[(3R,5R,8R,9S,10S,13S,14R,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 |
7453455 |
1-[(3R,5R,8R,9S,10S,13S,14R,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 |
7453456 |
1-[(3R,5R,8R,9S,10S,13S,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 |
7453457 |
1-[(3R,5R,8R,9S,10S,13S,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 | |
nonactive | Cluster 17389 | Additional Members: 4 | Rows returned: 3 | |
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