| 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: |
SER1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4666±0.0164756 |
| Normalized OD Score: sc h |
0.8359±0.0138512 |
| Z-Score: |
-5.1758±0.578386 |
| p-Value: |
0.00000094738 |
| Z-Factor: |
-24.7131 |
| Fitness Defect: |
13.8696 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 22|H7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.00 Celcius | | Date: | 2007-09-17 YYYY-MM-DD | | Plate CH Control (+): | 0.040025±0.00030 | | Plate DMSO Control (-): | 0.5528249999999999±0.18101 | | Plate Z-Factor: | -0.2467 |
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| 5459473 |
(2S,3R,7R,11S)-3,7,11-trimethyltridecan-2-ol |
| 5459474 |
(2R,3R,7R,11S)-3,7,11-trimethyltridecan-2-ol |
| 5459491 |
(2S,3S,7S,11R)-3,7,11-trimethyltridecan-2-ol |
| 5459492 |
(2R,3S,7S,11R)-3,7,11-trimethyltridecan-2-ol |
| 5459493 |
(2S,3R,7S,11R)-3,7,11-trimethyltridecan-2-ol |
| 5459494 |
(2R,3R,7S,11R)-3,7,11-trimethyltridecan-2-ol |
| 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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