Compound Information | SONAR Target prediction | Name: | 3-ethylenedioxy-17-beta-hydroxyandrostane | Unique Identifier: | NRB 03720 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C21H34O3 | Molecular Weight: | 301.231 g/mol | X log p: | 0.253 (online calculus) | Lipinksi Failures | 0 | TPSA | 18.46 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 0 | Canonical Smiles: | CC12CCC3C(CCC4CC5(CCC43C)OCCO5)C1CCC2O |
Species: |
4932 |
Condition: |
GIM3 |
Replicates: |
2 |
Raw OD Value: r im |
0.7188±0.0286378 |
Normalized OD Score: sc h |
0.9051±0.00758089 |
Z-Score: |
-5.0425±0.406856 |
p-Value: |
0.00000104241 |
Z-Factor: |
0.497353 |
Fitness Defect: |
13.774 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Maybridge1000 | Plate Number and Position: | 8|D8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 21.80 Celcius | Date: | 2007-08-23 YYYY-MM-DD | Plate CH Control (+): | 0.042±0.00209 | Plate DMSO Control (-): | 0.792225±0.00653 | Plate Z-Factor: | 0.9597 |
| png ps pdf |
7054871 |
(3S,5R,8R,9R,10R,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15 ,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
7054872 |
(3S,5R,8R,9R,10S,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15 ,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
7054873 |
(3R,5R,8R,9R,10R,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15 ,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
7054874 |
(3R,5R,8R,9R,10S,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15 ,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
7056389 |
-1 |
7056390 |
-1 |
internal high similarity DBLink | Rows returned: 3 | |
nonactive | Cluster 12674 | Additional Members: 6 | Rows returned: 4 | |
|