| 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: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4771±0.0125158 |
| Normalized OD Score: sc h |
1.0103±0.00121112 |
| Z-Score: |
0.3137±0.0322213 |
| p-Value: |
0.75381 |
| Z-Factor: |
-12.4762 |
| Fitness Defect: |
0.2826 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|E4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.0405±0.00114 | | Plate DMSO Control (-): | 0.46135000000000004±0.02062 | | Plate Z-Factor: | 0.8447 |
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ps
pdf |
| 443 |
10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione |
| 454 |
octanal |
| 984 |
hexadecanal |
| 2537 |
1,7,7-trimethylnorbornan-2-one |
| 6986 |
5-methyl-2-propan-2-yl-cyclohexan-1-one |
| 7016 |
2-cyclohexylcyclohexan-1-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 183 | Additional Members: 2 | Rows returned: 0 | |
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