| Compound Information | SONAR Target prediction | | Name: | 4-Androsten-4-ol-3,17-dione | | Unique Identifier: | LOPAC 00661 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C19H26O3 | | Molecular Weight: | 276.202 g/mol | | X log p: | -0.732 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC3C(CCC4=C(O)C(=O)CCC34C)C1CCC2=O | | Class: | Hormone | | Action: | Inhibitor | | Selectivity: | Aromatase |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6676±0.0292742 |
| Normalized OD Score: sc h |
1.0288±0.0274872 |
| Z-Score: |
0.7589±0.690359 |
| p-Value: |
0.499506 |
| Z-Factor: |
-5.39663 |
| Fitness Defect: |
0.6941 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 1|G9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.20 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.039175±0.00426 | | Plate DMSO Control (-): | 0.6864250000000001±0.02105 | | Plate Z-Factor: | 0.8790 |
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ps
pdf |
| 3408 |
4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione |
| 11273 |
(8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth
rene-3,17-dione |
| 72061 |
(8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopen
ta[a]phenanthren-3-one |
| 79023 |
2-hydroxy-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one |
| 107580 |
(8R,9S,13S,14S,17S)-4,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]
phenanthren-3-one |
| 131528 |
(8S,9S,10R,13S,14S)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phena
nthrene-3,17-dione |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 17181 | Additional Members: 4 | Rows returned: 1 | |
|
