| 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: |
RIC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2966±0.00558614 |
| Normalized OD Score: sc h |
0.6444±0.0119868 |
| Z-Score: |
-4.3894±0.930438 |
| p-Value: |
0.0000954064 |
| Z-Factor: |
0.456092 |
| Fitness Defect: |
9.2574 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 22|H7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2006-03-17 YYYY-MM-DD | | Plate CH Control (+): | 0.039775±0.00128 | | Plate DMSO Control (-): | 0.4279±0.02112 | | Plate Z-Factor: | 0.7994 |
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ps
pdf |
| 101541 |
(3R,5R,8R,9S,10S,13R,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 101680 |
2,3,3-trimethylnorbornan-2-ol |
| 101716 |
n/a |
| 101754 |
(1R,2S,4R)-1,5,5-trimethylnorbornan-2-ol |
| 101755 |
(1R,2R,4R)-1,5,5-trimethylnorbornan-2-ol |
| 101767 |
(3S,5S,8R,9S,10S,13R,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-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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