| 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: |
NBP2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2975±0.0366988 |
| Normalized OD Score: sc h |
0.4083±0.0376132 |
| Z-Score: |
-14.7116±1.51991 |
| p-Value: |
1.20792e-42 |
| Z-Factor: |
0.664839 |
| Fitness Defect: |
96.5197 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2006-02-17 YYYY-MM-DD | | Plate CH Control (+): | 0.038025±0.00119 | | Plate DMSO Control (-): | 0.715525±0.02095 | | Plate Z-Factor: | 0.9296 |
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ps
pdf |
| 7052537 |
(5R,8S,9S,10S,13R,14R)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenan
thren-16-one |
| 7052643 |
(3R,5R,8R,9R,10R,13R,14S)-3-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one |
| 7052644 |
(3S,5R,8R,9R,10R,13R,14S)-3-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one |
| 7052645 |
(3R,5R,8R,9R,10S,13R,14S)-3-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one |
| 7052646 |
(3S,5R,8R,9R,10S,13R,14S)-3-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one |
| 7052718 |
1-[(3R,5R,8S,9R,10R,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopen
ta[a]phenanthren-3-yl]ethanone |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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