| Compound Information | SONAR Target prediction | | Name: | Mometasone furoate | | Unique Identifier: | Prest924 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27Cl2H30O6 | | Molecular Weight: | 493.207 g/mol | | X log p: | 11.949 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 69.67 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)c1occc1)C(=O)CCl | | Generic_name: | MOMETASONE FUROATE | | Chemical_iupac_name: | MOMETASONE FUROATE | | Drug_type: | Experimental | | Kegg_compound_id: | C07817 | | Drugbank_id: | EXPT02209 | | Logp: | 4.115 | | Cas_registry_number: | 83919-23-7 | | Drug_category: | Progesterone Receptor inhibitor | | Organisms_affected: | -1 |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
2182.0000±0 |
| Normalized OD Score: sc h |
1.0603±0 |
| Z-Score: |
1.3589±0 |
| p-Value: |
0.174195 |
| Z-Factor: |
-4.36941 |
| Fitness Defect: |
1.7476 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 8|B3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 24.20 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 953±868.44324 | | Plate DMSO Control (-): | 1906.5±525.50956 | | Plate Z-Factor: | -4.3660 |
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| DBLink | Rows returned: 4 | |
| 4240 |
[9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopen
ta[a]phenanthren-17-yl] furan-2-carboxylate |
| 55188 |
[(9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate |
| 441336 |
[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,
11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate |
| 6604444 |
[(8R,9R,10R,11S,13S,14R,16S,17S)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,
11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1865 | Additional Members: 13 | Rows returned: 3 | |
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