| Compound Information | SONAR Target prediction | | Name: | 5alpha-ANDROSTAN-3,17-DIONE | | Unique Identifier: | SPE00107108 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 261.21 g/mol | | X log p: | -0.364 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC(=O)CC1CCC1C2CCC2(C)C1CCC2=O | | Class: | sterol | | Source: | human urine & adrenal cortex | | Therapeutics: | androgen | | Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00262 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
pdr_yCG196 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5760±0.0240416 |
| Normalized OD Score: sc h |
0.7648±0.0210216 |
| Z-Score: |
-7.8628±0.643377 |
| p-Value: |
0.0000000000000642042 |
| Z-Factor: |
0.37942 |
| Fitness Defect: |
30.3767 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 16|C6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.096±0.00941 | | Plate DMSO Control (-): | 0.9317500000000001±0.02607 | | Plate Z-Factor: | 0.8671 |
|  png
ps
pdf |
| 13765412 |
(1R,4S,5R)-5,6,6-trimethylbicyclo[2.2.1]heptan-3-one |
| 15940022 |
dispiro[4.1.4^{7}.2^{5}]tridecan-6-one |
| 15940023 |
dispiro[4.1.5^{7}.2^{5}]tetradecan-6-one |
| 15940071 |
(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one |
| 15954590 |
(5S)-6-methyl-5-[(1R,5S,6S)-4-oxo-6-bicyclo[3.1.0]hexyl]heptan-2-one |
| 15966058 |
n/a |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
