| Compound Information | SONAR Target prediction | | Name: | ETHAVERINE HYDROCHLORIDE | | Unique Identifier: | SPE01501000 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 401.714 g/mol | | X log p: | 15.917 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 49.28 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 10 | | Canonical Smiles: | Cl.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | | Source: | synthetic | | Therapeutics: | antispasmodic |
| Species: |
4932 |
| Condition: |
SEC22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5154±0.0046669 |
| Normalized OD Score: sc h |
0.8731±0.0110821 |
| Z-Score: |
-4.4173±0.592435 |
| p-Value: |
0.0000325456 |
| Z-Factor: |
-6.0714 |
| Fitness Defect: |
10.3329 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 18|G3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2007-10-16 YYYY-MM-DD | | Plate CH Control (+): | 0.039400000000000004±0.00041 | | Plate DMSO Control (-): | 0.59185±0.11015 | | Plate Z-Factor: | 0.3647 |
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ps
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| DBLink | Rows returned: 2 | |
| 3280 |
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline |
| 5702159 |
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline hydrochloride |
| internal high similarity DBLink | Rows returned: 3 | |
| nonactive | Cluster 1145 | Additional Members: 7 | Rows returned: 4 | |
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