| Compound Information | SONAR Target prediction | | Name: | TERBUTALINE HEMISULFATE | | Unique Identifier: | SPE01500558 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 302.197 g/mol | | X log p: | 5.569 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(C)(C)NCC(O)c1cc(O)cc(O)c1.OS(O)(=O)=O | | Source: | synthetic | | Therapeutics: | betaadrenergic agonist, bronchodilator |
| Species: |
4932 |
| Condition: |
MDH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7631±0.0309006 |
| Normalized OD Score: sc h |
0.9670±0.0174402 |
| Z-Score: |
-1.8399±0.783157 |
| p-Value: |
0.107539 |
| Z-Factor: |
-413.049 |
| Fitness Defect: |
2.2299 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 16|H2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2007-08-07 YYYY-MM-DD | | Plate CH Control (+): | 0.041175±0.00069 | | Plate DMSO Control (-): | 0.77315±0.13956 | | Plate Z-Factor: | 0.4057 |
|  png
ps
pdf |
| DBLink | Rows returned: 4 | |
| 31620 |
[2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-tert-butyl-azanium sulfate |
| 441333 |
5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol; sulfuric acid |
| 441334 |
5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid |
| 657301 |
5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 17428 | Additional Members: 9 | Rows returned: 0 | |
|
