| 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: |
BNI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7055±0.00438406 |
| Normalized OD Score: sc h |
1.0103±0.00213555 |
| Z-Score: |
0.5070±0.0894857 |
| p-Value: |
0.612852 |
| Z-Factor: |
-6.89054 |
| Fitness Defect: |
0.4896 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2007-09-14 YYYY-MM-DD | | Plate CH Control (+): | 0.04155±0.00083 | | Plate DMSO Control (-): | 0.682925±0.03554 | | Plate Z-Factor: | 0.8228 |
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| 7359282 |
(3S,5S,8R,9R,10S,13R,14S,17S)-17-[(2S,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7359284 |
(3S,5S,8R,9R,10S,13R,14S,17S)-17-[(2S,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7377442 |
(1R,2R,3S,4R,6R)-2,3,5,5,6-pentamethylnorbornan-2-ol |
| 7377444 |
(1R,2R,3S,4R,6S)-2,3,5,5,6-pentamethylnorbornan-2-ol |
| 7377676 |
(1R,2R,4R,6R)-2,5,5,6-tetramethylnorbornan-2-ol |
| 7377677 |
(1R,2R,4R,6S)-2,5,5,6-tetramethylnorbornan-2-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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