| Compound Information | SONAR Target prediction | | Name: | Beclomethasone | | Unique Identifier: | LOPAC 00703 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C22ClH29O5 | | Molecular Weight: | 379.685 g/mol | | X log p: | 4.142 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(O)C(=O)CO | | Class: | Hormone | | Selectivity: | Glucocorticoid |
| Species: |
4932 |
| Condition: |
tep1-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6932±0.154149 |
| Normalized OD Score: sc h |
1.0009±0.0161926 |
| Z-Score: |
0.0362±0.614772 |
| p-Value: |
0.66398 |
| Z-Factor: |
-13.1608 |
| Fitness Defect: |
0.4095 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 2|H10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2005-07-07 YYYY-MM-DD | | Plate CH Control (+): | 0.04385±0.00194 | | Plate DMSO Control (-): | 0.66165±0.02240 | | Plate Z-Factor: | 0.9361 |
|  png
ps
pdf |
| DBLink | Rows returned: 3 | |
| 2308 |
9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopent
a[a]phenanthren-3-one |
| 20469 |
(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,1
1,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 6603734 |
(8R,9S,10S,11S,13R,14R,16R,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,1
1,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 9739 | Additional Members: 15 | Rows returned: 1 | |
|
