| Compound Information | SONAR Target prediction | | Name: | EPICOPROSTEROL | | Unique Identifier: | SPE01504056 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27H48O | | Molecular Weight: | 341.296 g/mol | | X log p: | 1.606 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | | Source: | ex mammalian excretions | | 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: |
TFP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7478±0.00855599 |
| Normalized OD Score: sc h |
1.0227±0.016032 |
| Z-Score: |
0.9428±0.657189 |
| p-Value: |
0.395914 |
| Z-Factor: |
-9.97169 |
| Fitness Defect: |
0.9266 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2007-08-31 YYYY-MM-DD | | Plate CH Control (+): | 0.04135±0.00089 | | Plate DMSO Control (-): | 0.692175±0.12595 | | Plate Z-Factor: | 0.3964 |
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ps
pdf |
| 118723 |
hexadecan-1-olate; titanium(+4) cation |
| 118984 |
decan-1-olate; magnesium(+2) cation; propan-2-olate |
| 119242 |
(3S,4R,4aR,6aS,6aR,6bR,8aR,12aR,14aR,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12
,12a,13,14,14b-hexadecahydropicen-3-ol |
| 119394 |
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,
14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 119965 |
(1R,2S,4R)-1,2,3,3-tetramethylnorbornan-2-ol |
| 120059 |
(3R,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-tetradec
ahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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