| Compound Information | SONAR Target prediction | | Name: | ESTRADIOL METHYL ETHER | | Unique Identifier: | SPE01501183 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 260.202 g/mol | | X log p: | 7.007 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 9.23 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | COc1ccc2C3CCC4(C)C(O)CCC4C3CCc2c1 | | Source: | semisynthetic | | Reference: | JACS 100: 6218 (1978) | | Therapeutics: | estrogen |
| Species: |
4932 |
| Condition: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6945±0.0114551 |
| Normalized OD Score: sc h |
0.7870±0.0198234 |
| Z-Score: |
-11.4391±0.712151 |
| p-Value: |
3.89526e-28 |
| Z-Factor: |
-4.19176 |
| Fitness Defect: |
63.1126 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 22|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.096±0.00632 | | Plate DMSO Control (-): | 0.9400000000000001±0.04220 | | Plate Z-Factor: | 0.7701 |
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ps
pdf |
| 240338 |
(8S,9S,13R,14S,16S)-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-
16-ol |
| 243047 |
(8S,9S,13S,14S,17S)-3-methoxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-
17-ol |
| 246206 |
(8S,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-o
l |
| 252399 |
(8S,9S,13S,14S,17S)-17-ethyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanth
ren-17-ol |
| 257432 |
3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-ol |
| 287599 |
8-methoxy-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysen-1-ol |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 3283 | Additional Members: 12 | Rows returned: 7 | 1 2 Next >> |
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