| Compound Information | SONAR Target prediction | | Name: | FLUMETHASONE | | Unique Identifier: | SPE01501196 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 382.229 g/mol | | X log p: | 4.43 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO | | Source: | semisynthetic | | Therapeutics: | antiinflammatory |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7164±0.00304056 |
| Normalized OD Score: sc h |
0.9970±0.014197 |
| Z-Score: |
-0.1701±0.757954 |
| p-Value: |
0.597314 |
| Z-Factor: |
-22.7045 |
| Fitness Defect: |
0.5153 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 19|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.040125±0.00147 | | Plate DMSO Control (-): | 0.698225±0.01129 | | Plate Z-Factor: | 0.9487 |
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ps
pdf |
| 3375 |
6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclo
penta[a]phenanthren-3-one |
| 16490 |
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-
6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 71415 |
(6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-
6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 101859 |
(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11
,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 494039 |
6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopent
a[a]phenanthren-3-one |
| 5702178 |
(6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-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 | |
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