Compound Information | SONAR Target prediction | Name: | BETAMETHASONE 17,21-DIPROPIONATE | Unique Identifier: | SPE01503210 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 467.294 g/mol | X log p: | 4.522 (online calculus) | Lipinksi Failures | 0 | TPSA | 86.74 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 7 | Rotatable Bond Count: | 8 | Canonical Smiles: | CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C | Source: | semisynthetic | Therapeutics: | glucocorticoid, antiinflammatory |
Species: |
4932 |
Condition: |
PPH21 |
Replicates: |
2 |
Raw OD Value: r im |
0.6661±0.0302642 |
Normalized OD Score: sc h |
0.8436±0.0119068 |
Z-Score: |
-5.6155±0.503608 |
p-Value: |
0.0000000734392 |
Z-Factor: |
0.174317 |
Fitness Defect: |
16.4268 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 10|A7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.20 Celcius | Date: | 2006-05-16 YYYY-MM-DD | Plate CH Control (+): | 0.03975±0.00188 | Plate DMSO Control (-): | 0.7724250000000001±0.02286 | Plate Z-Factor: | 0.9010 |
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21800 |
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,1 1,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
63049 |
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,1 1,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
71470 |
[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)- 6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate |
111080 |
[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7 ,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2-methylpropanoate |
111111 |
[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7 ,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate |
135410 |
[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-methoxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11 ,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 1865 | Additional Members: 13 | Rows returned: 2 | |
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