| 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: |
MDH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8020±0.00650538 |
| Normalized OD Score: sc h |
1.0221±0.0140039 |
| Z-Score: |
1.3143±0.950004 |
| p-Value: |
0.283786 |
| Z-Factor: |
-8.92081 |
| Fitness Defect: |
1.2595 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2007-08-07 YYYY-MM-DD | | Plate CH Control (+): | 0.0397±0.00045 | | Plate DMSO Control (-): | 0.7706999999999999±0.07446 | | Plate Z-Factor: | 0.7116 |
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ps
pdf |
| 11650011 |
n/a |
| 11976998 |
(3R)-3-tert-butylcyclopentan-1-one |
| 12002600 |
(3R)-3-methylcyclotridecan-1-one |
| 12130588 |
(1R,4S,5S)-5,6,6-trimethylbicyclo[2.2.1]heptan-3-one |
| 12224428 |
dispiro[5.1.5^{8}.1^{6}]tetradecan-14-one |
| 12266719 |
(3R)-3,7-dimethyloctanal |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 5819 | Additional Members: 6 | Rows returned: 0 | |
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