| 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: |
MT2481-pdr1pdr3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6692±0.0127986 |
| Normalized OD Score: sc h |
0.9877±0.0061275 |
| Z-Score: |
-0.6823±0.298405 |
| p-Value: |
0.504546 |
| Z-Factor: |
-11.1453 |
| Fitness Defect: |
0.6841 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 1|G9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.60 Celcius | | Date: | 2005-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.048299999999999996±0.00112 | | Plate DMSO Control (-): | 0.66215±0.01567 | | Plate Z-Factor: | 0.9146 |
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ps
pdf |
| 160615 |
(8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopent
a[a]phenanthren-3-one |
| 164714 |
(8S,9S,10R,13R,14S,17S)-17-acetyl-4-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocycl
openta[a]phenanthren-3-one |
| 253543 |
2-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-5,6,7,8,9,11,12,15,16,17-decahydrocyclopenta
[a]phenanthren-3-one |
| 351707 |
4,17-dihydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one |
| 518960 |
4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| 573196 |
9-hydroxyspiro[4.5]dec-8-en-10-one |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 17181 | Additional Members: 4 | Rows returned: 1 | |
|
