| Compound Information | SONAR Target prediction | | Name: | CLENBUTEROL HYDROCHLORIDE | | Unique Identifier: | SPE01503917 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 294.499 g/mol | | X log p: | 4.219 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | | Source: | synthetic; NAB-365 | | Therapeutics: | bronchodilator, beta2 adrenergic agonist |
| Species: |
4932 |
| Condition: |
VPS35 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7134±0.00841457 |
| Normalized OD Score: sc h |
1.0033±0.00006358 |
| Z-Score: |
0.1606±0.00601825 |
| p-Value: |
0.872426 |
| Z-Factor: |
-10.6709 |
| Fitness Defect: |
0.1365 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 22|E11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-02-20 YYYY-MM-DD | | Plate CH Control (+): | 0.04195±0.00059 | | Plate DMSO Control (-): | 0.69555±0.01593 | | Plate Z-Factor: | 0.9201 |
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| 2783 |
1-(4-amino-3,5-dichloro-phenyl)-2-(tert-butylamino)ethanol |
| 30849 |
[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]-tert-butyl-azanium chloride |
| 217246 |
1-(4-amino-3,5-dichloro-phenyl)-2-(propan-2-ylamino)ethanol |
| 688427 |
(1R)-1-(4-amino-3,5-dichloro-phenyl)-2-(tert-butylamino)ethanol |
| 688428 |
(1S)-1-(4-amino-3,5-dichloro-phenyl)-2-(tert-butylamino)ethanol |
| 5231296 |
[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]-tert-butyl-azanium |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 17428 | Additional Members: 9 | Rows returned: 0 | |
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