| 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: |
BNI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6174±0.017112 |
| Normalized OD Score: sc h |
0.8925±0.0292672 |
| Z-Score: |
-5.3328±1.61302 |
| p-Value: |
0.0000138102 |
| Z-Factor: |
-1.51011 |
| Fitness Defect: |
11.1901 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2007-09-14 YYYY-MM-DD | | Plate CH Control (+): | 0.04155±0.00083 | | Plate DMSO Control (-): | 0.682925±0.03554 | | Plate Z-Factor: | 0.8228 |
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ps
pdf |
| 6571291 |
n/a |
| 6572221 |
(4R,4aS,6aR,6aR,6bS,8aS,12aS,14aR,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13
,14,14b-tetradecahydro-1H-picen-3-one |
| 6572471 |
(5S,8S,9S,10R,13S,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,17-dione |
| 6573020 |
(2R)-2-[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl]cyclohexan-1-one |
| 6579596 |
(2S,6S)-2,6-dimethyl-4-[(1R,2S,4S)-norbornan-2-yl]cyclohexan-1-one |
| 6584025 |
(2R,3S,5S)-3,5-dimethyl-2-[(1R,2S,4S)-norbornan-2-yl]cyclohexan-1-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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