| Compound Information | SONAR Target prediction | | Name: | DIHYDROXY (3alpha,12alpha)PREGNAN-20-ONE | | Unique Identifier: | SPE00100652 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 300.223 g/mol | | X log p: | -0.683 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C | | Class: | sterol | | Source: | semisynthetic |
| Species: |
4932 |
| Condition: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6503±0.0270115 |
| Normalized OD Score: sc h |
1.2645±0.0195094 |
| Z-Score: |
4.2764±0.525667 |
| p-Value: |
0.0000488426 |
| Z-Factor: |
0.496256 |
| Fitness Defect: |
9.9269 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2006-04-26 YYYY-MM-DD | | Plate CH Control (+): | 0.039575±0.00117 | | Plate DMSO Control (-): | 0.61475±0.01562 | | Plate Z-Factor: | 0.8810 |
|  png
ps
pdf |
| 4246410 |
6,16-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3
-one |
| 4303575 |
17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dion
e |
| 4307344 |
3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[
a]phenanthren-6-one |
| 4309017 |
1-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenan
thren-17-yl)ethanone |
| 4357793 |
17-acetyl-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanth
ren-3-one |
| 4384610 |
17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-3-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
|
