| Compound Information | SONAR Target prediction | | Name: | Aminobenztropine | | Unique Identifier: | LOPAC 00168 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H26N2O | | Molecular Weight: | 296.238 g/mol | | X log p: | 18.29 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 12.47 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1N | | Class: | Cholinergic | | Action: | Ligand | | Selectivity: | Muscarinic |
| Species: |
4932 |
| Condition: |
KRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6366±0.0362746 |
| Normalized OD Score: sc h |
1.0043±0.0116641 |
| Z-Score: |
0.1925±0.504887 |
| p-Value: |
0.725994 |
| Z-Factor: |
-5.92699 |
| Fitness Defect: |
0.3202 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 2|E7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.80 Celcius | | Date: | 2005-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.03905±0.00134 | | Plate DMSO Control (-): | 0.6374500000000001±0.01660 | | Plate Z-Factor: | 0.9651 |
|  png
ps
pdf |
| DBLink | Rows returned: 2 | |
| 2143 |
2-[(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)oxy-phenyl-methyl]aniline |
| 6603695 |
2-[(S)-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]oxy-phenyl-methyl]aniline |
| internal high similarity DBLink | Rows returned: 1 | |
| nonactive | Cluster 2609 | Additional Members: 7 | Rows returned: 6 | |
|
