| Compound Information | SONAR Target prediction | | Name: | 5alpha-ANDROSTAN-3beta,17beta-DIOL | | Unique Identifier: | SPE00107100 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C19H32O2 | | Molecular Weight: | 261.21 g/mol | | X log p: | -0.0960000000000001 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O | | Source: | testosterone metabolite | | Reference: | J Org Chem 26: 2043 (1961); J Med Chem 9: 924 (1966) | | Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00530 | | Logp: | 3.73 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
CLA4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5995±0.0216375 |
| Normalized OD Score: sc h |
0.8950±0.0183461 |
| Z-Score: |
-4.6130±0.628742 |
| p-Value: |
0.0000155509 |
| Z-Factor: |
-191.394 |
| Fitness Defect: |
11.0714 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 22|H7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2007-09-12 YYYY-MM-DD | | Plate CH Control (+): | 0.039825±0.00041 | | Plate DMSO Control (-): | 0.653375±0.19507 | | Plate Z-Factor: | -0.0743 |
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| 15981575 |
(2S,3R,7R)-3,7-dimethyltridecan-2-ol |
| 16049918 |
(1S,4R)-5-deuterio-6-hydroxy-bicyclo[2.2.1]heptane |
| 16055632 |
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7
,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 16057425 |
[(1R,4R,5R)-1,7,7-trimethyl-5-bicyclo[2.2.1]heptyl]methanol |
| 16057429 |
(1R,3S,4S)-6,6-dimethylbicyclo[2.2.1]heptan-3-ol |
| 16057431 |
magnesium; decan-1-olate; propan-2-olate |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 12674 | Additional Members: 6 | Rows returned: 4 | |
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