| Compound Information | SONAR Target prediction | | Name: | PYRVINIUM PAMOATE | | Unique Identifier: | SPE01500521 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 726.541 g/mol | | X log p: | 29.37 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 9.49 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | [O-]C(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc32)C(O)=O)c1O.CN(C)c1ccc2c(ccc(
C=Cc3cc(C)n(c3C)c3ccccc3)[n+]2C)c1 | | Source: | synthetic | | Therapeutics: | anthelmintic |
| Species: |
4932 |
| Condition: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5348±0.00919239 |
| Normalized OD Score: sc h |
0.6497±0.0134621 |
| Z-Score: |
-12.6452±0.944883 |
| p-Value: |
2.34352e-33 |
| Z-Factor: |
0.736618 |
| Fitness Defect: |
75.1337 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 16|E4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2006-05-11 YYYY-MM-DD | | Plate CH Control (+): | 0.038400000000000004±0.00223 | | Plate DMSO Control (-): | 0.7964±0.01389 | | Plate Z-Factor: | 0.9372 |
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| DBLink | Rows returned: 6 | |
| 427876 |
4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid;
2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine |
| 5476354 |
4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine |
| 5702110 |
4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine |
| 11979707 |
4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine |
| 11980830 |
4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine |
| 11980902 |
4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(Z)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 6768 | Additional Members: 2 | Rows returned: 1 | |
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