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: |
WHI5 |
Replicates: |
2 |
Raw OD Value: r im |
0.6269±0.0500632 |
Normalized OD Score: sc h |
1.0123±0.0521914 |
Z-Score: |
0.4682±1.62289 |
p-Value: |
0.301534 |
Z-Factor: |
-5.47904 |
Fitness Defect: |
1.1989 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 12|B8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-04-20 YYYY-MM-DD | Plate CH Control (+): | 0.045875±0.00087 | Plate DMSO Control (-): | 0.6643749999999999±0.09786 | Plate Z-Factor: | 0.7360 |
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7195930 |
(5S,8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro- 1H-cyclopenta[a]phenanthren-3-one |
7195931 |
(5S,8S,9S,10R,13R,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro- 1H-cyclopenta[a]phenanthren-3-one |
7310979 |
1-[(3S,5S,8R,9R,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradec ahydrocyclopenta[a]phenanthren-17-yl]ethanone |
7310980 |
1-[(3S,5S,8R,9R,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradec ahydrocyclopenta[a]phenanthren-17-yl]ethanone |
7310981 |
1-[(3S,5S,8R,9R,10S,13S,14R,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradec ahydrocyclopenta[a]phenanthren-17-yl]ethanone |
7310982 |
1-[(3S,5S,8R,9R,10S,13S,14R,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradec ahydrocyclopenta[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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