Compound Information | SONAR Target prediction | Name: | Clemastine fumarate | Unique Identifier: | LOPAC 00805 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C25ClH30NO5 | 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 | Class: | Histamine | Action: | Antagonist | Selectivity: | HRH1 |
Species: |
4932 |
Condition: |
MT2481-pdr1pdr3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6499±0.00961665 |
Normalized OD Score: sc h |
0.9419±0.0123064 |
Z-Score: |
-3.2990±0.915185 |
p-Value: |
0.00404218 |
Z-Factor: |
-0.635593 |
Fitness Defect: |
5.511 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 4|B11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.70 Celcius | Date: | 2005-04-08 YYYY-MM-DD | Plate CH Control (+): | 0.048424999999999996±0.00114 | Plate DMSO Control (-): | 0.667875±0.01195 | Plate Z-Factor: | 0.9299 |
| 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 | |
|