Compound Information | SONAR Target prediction | Name: | CLEMASTINE | Unique Identifier: | SPE01500191 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 429.724 g/mol | X log p: | 18.96 (online calculus) | Lipinksi Failures | 1 | TPSA | 12.47 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 6 | Canonical Smiles: | CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.OC(=O)C=CC(O)=O | Source: | synthetic | Therapeutics: | antihistaminic |
Species: |
4932 |
Condition: |
MT2481-pdr1pdr3-1st |
Replicates: |
2 |
Raw OD Value: r im |
0.5788±0.00388909 |
Normalized OD Score: sc h |
0.9113±0.00538534 |
Z-Score: |
-4.1439±0.398805 |
p-Value: |
0.000061061 |
Z-Factor: |
-0.0735082 |
Fitness Defect: |
9.7036 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 4|E9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.00 Celcius | Date: | 2008-01-25 YYYY-MM-DD | Plate CH Control (+): | 0.0405±0.00070 | Plate DMSO Control (-): | 0.60965±0.01628 | Plate Z-Factor: | 0.9082 |
| png ps pdf |
DBLink | Rows returned: 3 | |
26986 |
but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine |
5281069 |
but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine |
6426695 |
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-2,3,4,5-tetrahydropyrrole; (E)-4-hydroxy-4-oxo-but-2-enoate |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 7676 | Additional Members: 4 | Rows returned: 2 | |
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