| Compound Information | SONAR Target prediction | | Name: | Cortexolone | | Unique Identifier: | LOPAC 01179 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H30O4 | | Molecular Weight: | 319.246 g/mol | | X log p: | 0.635 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO | | Class: | Hormone | | Action: | Precursor | | Selectivity: | Cortisol |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6609±0.00268701 |
| Normalized OD Score: sc h |
1.0258±0.0193909 |
| Z-Score: |
0.7281±0.587488 |
| p-Value: |
0.503668 |
| Z-Factor: |
-3.73658 |
| Fitness Defect: |
0.6858 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|H11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.040075±0.00255 | | Plate DMSO Control (-): | 0.6507000000000001±0.01721 | | Plate Z-Factor: | 0.8671 |
|  png
ps
pdf |
| 9050 |
(17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]
phenanthren-3-one |
| 227112 |
17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenan
thren-3-one |
| 252011 |
17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]ph
enanthren-3-one |
| 440707 |
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one |
| 657187 |
(8R,9S,10S,13S,14S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one |
| 5318189 |
(10R,13S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,14-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclop
enta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 15 | 1 2 3 Next >> |
| active | Cluster 13537 | Additional Members: 14 | Rows returned: 4 | |
|
