| 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: |
GPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6019±0.0116673 |
| Normalized OD Score: sc h |
0.7865±0.0140867 |
| Z-Score: |
-6.0625±0.773358 |
| p-Value: |
0.0000000173942 |
| Z-Factor: |
0.181947 |
| Fitness Defect: |
17.8671 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2006-03-02 YYYY-MM-DD | | Plate CH Control (+): | 0.039325±0.00184 | | Plate DMSO Control (-): | 0.7518750000000001±0.03408 | | Plate Z-Factor: | 0.7954 |
|  png
ps
pdf |
| 16037247 |
(5R)-2-methyl-5-propan-2-yl-cyclohexan-1-one |
| 16044786 |
octanal |
| 16055578 |
n/a |
| 16057253 |
n/a |
| 16059118 |
cyclopentane; dicyclopentylmethanone; iron(+2) cation |
| 16061343 |
(5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,
15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
