| 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: |
BIK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7039±0.0103238 |
| Normalized OD Score: sc h |
1.0246±0.0173088 |
| Z-Score: |
1.0733±0.749789 |
| p-Value: |
0.347964 |
| Z-Factor: |
-5.95399 |
| Fitness Defect: |
1.0557 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.20 Celcius | | Date: | 2007-11-08 YYYY-MM-DD | | Plate CH Control (+): | 0.039875±0.00091 | | Plate DMSO Control (-): | 0.66355±0.02951 | | Plate Z-Factor: | 0.8592 |
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ps
pdf |
| 6565918 |
n/a |
| 6565982 |
(1S,2R,12S)-bicyclo[10.1.0]tridecan-2-ol |
| 6566020 |
(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-ol |
| 6566076 |
(3R,4aS,6aR,6aS,6bS,8aS,12aS,14aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,
6b,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol |
| 6566112 |
(3S,5S,8R,9S,10R,13S,14R,17R)-17-(2-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 |
| 6567123 |
(3S,4S,5R,8S,9S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,1
4,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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