| Compound Information | SONAR Target prediction | | Name: | (±)-Methoxyverapamil hydrochloride | | Unique Identifier: | LOPAC 00208 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C28ClH41N2O5 | | Molecular Weight: | 479.763 g/mol | | X log p: | 12.161 (online calculus) | | Lipinksi Failures | 2 | | TPSA | 73.18 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 14 | | Canonical Smiles: | Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC | | Class: | Ca2+ Channel | | Action: | Antagonist | | Selectivity: | L-type |
| Species: |
4932 |
| Condition: |
ESC2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4500±0.0183141 |
| Normalized OD Score: sc h |
0.9702±0.0232046 |
| Z-Score: |
-0.9510±0.78122 |
| p-Value: |
0.411468 |
| Z-Factor: |
-3.61739 |
| Fitness Defect: |
0.888 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 10|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.30 Celcius | | Date: | 2005-11-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039150000000000004±0.00155 | | Plate DMSO Control (-): | 0.4617±0.01624 | | Plate Z-Factor: | 0.8683 |
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| 1234 |
5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile |
| 4118 |
[4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium |
| 119442 |
5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
hydrochloride |
| 130026 |
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile |
| 134083 |
[4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-dimethyl-azanium |
| 657234 |
5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;
hydrogen(+1) cation; chloride |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 3209 | Additional Members: 11 | Rows returned: 0 | |
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