| 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: |
CHS7 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4608±0.044477 |
| Normalized OD Score: sc h |
0.8031±0.0404943 |
| Z-Score: |
-6.2753±0.786377 |
| p-Value: |
0.00000000535472 |
| Z-Factor: |
0.0992643 |
| Fitness Defect: |
19.0453 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2008-02-21 YYYY-MM-DD | | Plate CH Control (+): | 0.040325±0.00089 | | Plate DMSO Control (-): | 0.5615749999999999±0.01027 | | Plate Z-Factor: | 0.9362 |
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ps
pdf |
| 2748163 |
3-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one |
| 2748183 |
1-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)etha
none |
| 2748194 |
(5S,14R)-5,10,13,14-tetramethyl-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dion
e |
| 2748210 |
10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione |
| 2748270 |
5,10,13-trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione |
| 2750180 |
1,7,7-trimethyl-3-[2-(4,7,7-trimethyl-3-oxo-norbornan-2-yl)ethyl]norbornan-2-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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