Compound Information | SONAR Target prediction | Name: | ADRENALINE BITARTRATE | Unique Identifier: | SPE01500274 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 314.14 g/mol | X log p: | 6.314 (online calculus) | Lipinksi Failures | 1 | TPSA | 0 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 3 | Canonical Smiles: | CNCC(O)c1ccc(O)c(O)c1.OC(C(O)C(O)=O)C(O)=O | Class: | alkaloid | Source: | Portulaca grandiflora | Therapeutics: | adrenergic agonist, bronchodilator, antiglaucoma agent |
Species: |
4932 |
Condition: |
NPR1 |
Replicates: |
2 |
Raw OD Value: r im |
1.0117±0.0171827 |
Normalized OD Score: sc h |
0.9897±0.00380601 |
Z-Score: |
1.0478±0.29603 |
p-Value: |
0.305244 |
Z-Factor: |
-8.607 |
Fitness Defect: |
1.1866 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 1|H9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-09-18 YYYY-MM-DD | Plate CH Control (+): | 0.0081±0.00469 | Plate DMSO Control (-): | 1.0006249999999999±0.02736 | Plate Z-Factor: | 0.9248 |
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DBLink | Rows returned: 5 | |
5815 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
89249 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 4-(1-hydroxy-2-methylamino-ethyl)benzene-1,2-diol |
5702049 |
2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
6604103 |
(2R,3S)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
6852374 |
2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol |
internal high similarity DBLink | Rows returned: 5 | |
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