| Compound Information | SONAR Target prediction | | Name: | CHOLESTAN-3-ONE | | Unique Identifier: | SPE00270088 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27H46O | | Molecular Weight: | 341.296 g/mol | | X log p: | 1.754 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | 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 minor mammalian sterol | | Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00262 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
BIK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7007±0.00318198 |
| Normalized OD Score: sc h |
1.0238±0.00445602 |
| Z-Score: |
1.0411±0.186894 |
| p-Value: |
0.302042 |
| Z-Factor: |
-2.99631 |
| Fitness Defect: |
1.1972 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2007-11-08 YYYY-MM-DD | | Plate CH Control (+): | 0.041249999999999995±0.00070 | | Plate DMSO Control (-): | 0.671475±0.02477 | | Plate Z-Factor: | 0.8716 |
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ps
pdf |
| 639397 |
(1S,6S)-8,8-dimethylbicyclo[4.1.1]octan-4-one |
| 641688 |
n/a |
| 641920 |
(1S,4S)-1,5,5-trimethylnorbornan-2-one |
| 641922 |
(1R,4S)-4-methyl-1-propan-2-yl-norbornan-2-one |
| 642498 |
(3R,5S)-3,5-dimethylcyclohexan-1-one |
| 642499 |
(3S,5S)-3,5-dimethylcyclohexan-1-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 5819 | Additional Members: 6 | Rows returned: 0 | |
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