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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957 |
octan-1-ol |
1107 |
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol |
1213 |
4,8a-dimethyldecalin-4a-ol |
1254 |
5-methyl-2-propan-2-yl-cyclohexan-1-ol |
2682 |
hexadecan-1-ol |
3240 |
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a ]phenanthren-3-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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