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: |
GIM3 |
Replicates: |
4 |
Raw OD Value: r im |
0.5000±0.0745784 |
Normalized OD Score: sc h |
1.0198±0.0470122 |
Z-Score: |
0.4002±0.83808 |
p-Value: |
0.512566 |
Z-Factor: |
-5.13853 |
Fitness Defect: |
0.6683 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 10|F9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.70 Celcius | Date: | 2005-04-08 YYYY-MM-DD | Plate CH Control (+): | 0.0449625±0.00068 | Plate DMSO Control (-): | 0.6567000000000002±0.13731 | Plate Z-Factor: | -0.1642 |
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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 | |
nonactive | Cluster 3209 | Additional Members: 11 | Rows returned: 4 | |
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