| Compound Information | SONAR Target prediction | | Name: | 2-methoxyestradiol | | Unique Identifier: | LOPAC 01056 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C19H26O3 | | Molecular Weight: | 279.225 g/mol | | X log p: | 4.639 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 9.23 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | COc1cc2C3CCC4(C)C(O)CCC4C3CCc2cc1O | | Class: | Hormone | | Action: | Metabolite | | Selectivity: | Estrogen | | Generic_name: | 2-METHOXYESTRADIOL | | Chemical_iupac_name: | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER | | Drug_type: | Experimental | | Drugbank_id: | EXPT01362 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
NUM1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7098±0.0222032 |
| Normalized OD Score: sc h |
0.9643±0.0212642 |
| Z-Score: |
-2.2537±1.51611 |
| p-Value: |
0.119114 |
| Z-Factor: |
-2.25183 |
| Fitness Defect: |
2.1277 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 10|B10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2005-11-30 YYYY-MM-DD | | Plate CH Control (+): | 0.038900000000000004±0.00089 | | Plate DMSO Control (-): | 0.7255±0.01549 | | Plate Z-Factor: | 0.9380 |
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| DBLink | Rows returned: 5 | |
| 1573 |
2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| 66414 |
(8S,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,1
7-diol |
| 378119 |
(8S,13S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| 6603932 |
(8S,9S,13R,14R,17R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,1
7-diol |
| 6604917 |
(8S,9S,13R,14R,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,1
7-diol |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 13982 | Additional Members: 12 | Rows returned: 4 | |
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