Compound Information | SONAR Target prediction | Name: | ESTRIOL | Unique Identifier: | SPE01500285 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 264.191 g/mol | X log p: | 6.586 (online calculus) | Lipinksi Failures | 1 | TPSA | 0 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 0 | Canonical Smiles: | CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O | Class: | sterol | Source: | mammalian hormone | Reference: | JACS 76:2943 (1954); Biochem Prep 12:81 (1968); J Steroid Biochem 20:945 (1984) | Therapeutics: | estrogen | Generic_name: | 1,3,5(10)-ESTRATRIENE-3,16,17-TRIOL | Chemical_iupac_name: | ESTRIOL | Drug_type: | Experimental | Kegg_compound_id: | C05141 | Drugbank_id: | EXPT01361 | Logp: | 2.337 | Cas_registry_number: | 50-27-1 | Drug_category: | Cytochrome P450 51 inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
BY4743 |
Replicates: |
2 |
Raw OD Value: r im |
0.9600±0 |
Normalized OD Score: sc h |
0.9894±0 |
Z-Score: |
0.3159±0 |
p-Value: |
0.752074 |
Z-Factor: |
-14.446 |
Fitness Defect: |
0.2849 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 2|A4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-05-28 YYYY-MM-DD | Plate CH Control (+): | 0.0935±0.00189 | Plate DMSO Control (-): | 0.979±0.02304 | Plate Z-Factor: | 0.9155 |
| png ps pdf |
3269 |
13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol |
5756 |
(8S,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-t riol |
27067 |
(16R)-13-ethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol |
68929 |
(8S,9S,13S,14S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-t riol |
197991 |
(8S,9S,14S,16R,17R)-13-ethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol |
256737 |
(8S,9S,13S,14S,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-t riol |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 13982 | Additional Members: 12 | Rows returned: 4 | |
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