| 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: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5956±0.00247487 |
| Normalized OD Score: sc h |
1.0237±0.00460225 |
| Z-Score: |
1.1842±0.201583 |
| p-Value: |
0.241086 |
| Z-Factor: |
-3.57344 |
| Fitness Defect: |
1.4226 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.04015±0.00047 | | Plate DMSO Control (-): | 0.577125±0.01741 | | Plate Z-Factor: | 0.8899 |
|  png
ps
pdf |
| 628597 |
n/a |
| 628949 |
1-(10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl)ethanone |
| 628959 |
17-ethyl-10,13-dimethyl-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-dione |
| 631212 |
10,13-dimethyl-17-(4-methylpentan-2-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phen
anthren-16-one |
| 631293 |
1-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pen
tan-1-one |
| 632111 |
10,13-dimethyl-17-(5-methylhexan-2-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phena
nthren-16-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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