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: |
WHI3 |
Replicates: |
2 |
Raw OD Value: r im |
0.7119±0.00205061 |
Normalized OD Score: sc h |
1.0205±0.00444961 |
Z-Score: |
0.8235±0.385791 |
p-Value: |
0.427412 |
Z-Factor: |
-4.54253 |
Fitness Defect: |
0.85 |
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 (+): | 0.046225±0.00247 | Plate DMSO Control (-): | 0.6677±0.05947 | Plate Z-Factor: | 0.9006 |
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2754122 |
1-[(3S,5S,10S,13S,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyc lopenta[a]phenanthren-3-yl]ethanone |
2754147 |
(5S,10S,13S)-3-acetyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a] phenanthren-17-one |
3032331 |
1-[(3S,5S,8R,9S,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 |
3252112 |
n/a |
3363758 |
1-(3,17-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthre n-3-yl)ethanone |
3392029 |
1-(1-hydroxycyclohexyl)pentan-1-one |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
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