Compound Detail
CHEMBL75013
ZANAPEZIL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL75013 |
| Name | ZANAPEZIL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PMBLXLOXUGVTGB-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
3
Known Names
Molecular Properties
376.5
MW (Da)
5.31
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 7.01
EC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.01 | 7.01 | 97.7 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.0 | 6.855 | 100.0 | 2 |
| Acetylcholinesterase CHEMBL220 | EC50 | 5.94 | 5.94 | 1140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 98.0 | nM | 7.01 | Inhibition concentration against rat acetylcholinesterase | 7932538 |
| Acetylcholinesterase | IC50 | = | 97.7 | nM | 7.01 | Inhibition of acetylcholinesterase (AChE) | 8057278 |
| Acetylcholinesterase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of AChE | 20053484 |
| Acetylcholinesterase | IC50 | = | 194.98 | nM | 6.71 | Inhibition of human acetylcholinesterase | 21074294 |
| Acetylcholinesterase | EC50 | = | 1140.0 | nM | 5.94 | In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-d... | 12182861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057278 | 10.1021/jm00041a007 | Rattus norvegicus | 14 |
| 12182861 | 10.1016/s0960-894x(02)00482-1 | Felis catus | 5 |
| 12182861 | 10.1016/s0960-894x(02)00482-1 | Acetylcholinesterase | 2 |
| 7932538 | 10.1021/jm00045a020 | Acetylcholinesterase | 1 |
| 8057278 | 10.1021/jm00041a007 | Acetylcholinesterase | 1 |
| 8057278 | 10.1021/jm00041a007 | Unchecked | 1 |
| 8057278 | 10.1021/jm00041a007 | ADMET | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
| 21074294 | 10.1016/j.ejmech.2010.10.009 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine