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: |
WHI3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6920±0.00848528 |
Normalized OD Score: sc h |
0.9922±0.00411911 |
Z-Score: |
-0.2841±0.0800069 |
p-Value: |
0.776648 |
Z-Factor: |
-214.646 |
Fitness Defect: |
0.2528 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 1|G9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-04-20 YYYY-MM-DD | Plate CH Control (+): | 0.045475±0.00112 | Plate DMSO Control (-): | 0.679375±0.02217 | Plate Z-Factor: | 0.8765 |
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634045 |
4-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a] phenanthren-3-one |
6429883 |
(17R)-4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3 -one |
6432110 |
(17S)-4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3 -one |
6603709 |
(8R,9S,10S,13R,14R)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth rene-3,17-dione |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 17181 | Additional Members: 4 | Rows returned: 1 | |
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