Compound Information | SONAR Target prediction | Name: | FRIEDELIN | Unique Identifier: | SPE00100551 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 376.32 g/mol | X log p: | 1.503 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 1 | Rotatable Bond Count: | 0 | Canonical Smiles: | CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C | Class: | triterpene | Source: | Ceratopetalum apetalum D. Don, Cunoniaceae | Reference: | J Chem Soc 1954: 473 | 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: |
ARF1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6029±0.00304056 |
Normalized OD Score: sc h |
0.9015±0.00255381 |
Z-Score: |
-4.7724±0.108005 |
p-Value: |
0.00000194751 |
Z-Factor: |
-7.83808 |
Fitness Defect: |
13.149 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|C5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.80 Celcius | Date: | 2007-10-02 YYYY-MM-DD | Plate CH Control (+): | 0.04085±0.00056 | Plate DMSO Control (-): | 0.6660999999999999±0.11265 | Plate Z-Factor: | 0.4349 |
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1810797 |
(6S,10S)-6,10,14-trimethylpentadecan-2-one |
1870254 |
(4S)-4-(2-cyclohexylpropan-2-yl)cycloheptan-1-one |
1870256 |
(4R)-4-(2-cyclohexylpropan-2-yl)cycloheptan-1-one |
1988113 |
n/a |
2054348 |
(1R,5S)-7-methylbicyclo[3.3.1]nonan-3-one |
2054480 |
-1 |
active | Cluster 183 | Additional Members: 2 | Rows returned: 0 | |
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