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: |
LGE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4796±0.0104652 |
Normalized OD Score: sc h |
1.0238±0.0406901 |
Z-Score: |
0.7978±1.37271 |
p-Value: |
0.469878 |
Z-Factor: |
-5.22612 |
Fitness Defect: |
0.7553 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 1|G9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.10 Celcius | Date: | 2005-11-29 YYYY-MM-DD | Plate CH Control (+): | 0.039525±0.00295 | Plate DMSO Control (-): | 0.472025±0.00919 | Plate Z-Factor: | 0.8920 |
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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 | |
nonactive | Cluster 17181 | Additional Members: 4 | Rows returned: 1 | |
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