| Compound Information | SONAR Target prediction | | Name: | ERGOSTA-7,22-DIEN-3-ONE | | Unique Identifier: | SPE01800109 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 352.299 g/mol | | X log p: | 8.157 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Fomes & Coriolis spp. | | Reference: | J Chem Soc (C)1971:685 |
| Species: |
4932 |
| Condition: |
PFK2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4479±0.0120915 |
| Normalized OD Score: sc h |
0.9762±0.00869406 |
| Z-Score: |
-0.7662±0.293854 |
| p-Value: |
0.453342 |
| Z-Factor: |
-12.8745 |
| Fitness Defect: |
0.7911 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.40 Celcius | | Date: | 2008-05-10 YYYY-MM-DD | | Plate CH Control (+): | 0.0402±0.00041 | | Plate DMSO Control (-): | 0.473275±0.02585 | | Plate Z-Factor: | 0.7694 |
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| 4338833 |
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenan
thren-3-one |
| 4426421 |
1,1,4,4-tetramethyl-4a,5,8,8a-tetrahydro-3H-naphthalen-2-one |
| 4585785 |
1-(6-bicyclo[2.2.1]hept-2-enyl)propan-2-one |
| 4589999 |
n/a |
| 5059829 |
n/a |
| 5201677 |
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenan
thren-3-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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