| 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: |
pdr1pdr3-24h |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5660±0 |
| Normalized OD Score: sc h |
0.7458±0 |
| Z-Score: |
-5.7992±0 |
| p-Value: |
0.00000000666236 |
| Z-Factor: |
0.61484 |
| Fitness Defect: |
18.8268 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|C5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2006-08-13 YYYY-MM-DD | | Plate CH Control (+): | 0.0409±0.00246 | | Plate DMSO Control (-): | 0.7486±0.02399 | | Plate Z-Factor: | 0.8872 |
|  png
ps
pdf |
| 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 | |
|
