| Compound Information | SONAR Target prediction | | Name: | CYPROTERONE | | Unique Identifier: | SPE01503921 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C22ClH27O3 | | Molecular Weight: | 347.686 g/mol | | X log p: | 2.906 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C | | Therapeutics: | antiandrogen |
| Species: |
4932 |
| Condition: |
MKK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8410±0.0268701 |
| Normalized OD Score: sc h |
1.0129±0.0462446 |
| Z-Score: |
0.3314±1.30063 |
| p-Value: |
0.38362 |
| Z-Factor: |
-10.9737 |
| Fitness Defect: |
0.9581 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 24|G2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.10175000000000001±0.01301 | | Plate DMSO Control (-): | 0.9555±0.01696 | | Plate Z-Factor: | 0.8908 |
|  png
ps
pdf |
| 3015 |
n/a |
| 16065 |
(9S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a
]phenanthren-3-one |
| 16417 |
n/a |
| 21461 |
17-acetyl-6-chloro-17-hydroxy-10,13,16-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanth
ren-3-one |
| 168905 |
(17R)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthre
n-3-one |
| 5284533 |
(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-c
yclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 5652 | Additional Members: 7 | Rows returned: 5 | |
|
