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: |
DEP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6292±0.0119501 |
Normalized OD Score: sc h |
1.0239±0.0122617 |
Z-Score: |
0.9934±0.547878 |
p-Value: |
0.355934 |
Z-Factor: |
-2.17554 |
Fitness Defect: |
1.033 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 12|B8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.90 Celcius | Date: | 2005-11-16 YYYY-MM-DD | Plate CH Control (+): | 0.040525±0.00148 | Plate DMSO Control (-): | 0.59825±0.01150 | Plate Z-Factor: | 0.9138 |
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630364 |
5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-4-one |
630405 |
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 |
827465 |
(2S,4S)-2-hydroxy-2-methyl-4-tert-butyl-cyclohexan-1-one |
1268070 |
(1R,2S,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-one |
2729261 |
(5S,8R,9S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclo penta[a]phenanthren-3-one |
2750706 |
1-(1-hydroxy-2-methyl-5-propan-2-yl-cyclohexyl)ethanone |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
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