Compound Detail
CHEMBL32329
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Basic Information
| ChEMBL ID | CHEMBL32329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLRUDVGUKJOCFW-PCLIKHOPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
5.46
ALogP
2
HBA
0
HBD
25.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.03
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human AchE | 18181565 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 9400.0 | nM | 5.03 | Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscari... | 8182702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182702 | 10.1021/jm00036a008 | Muscarinic acetylcholine receptor M2 | 2 |
| 8182702 | 10.1021/jm00036a008 | No relevant target | 1 |
| 18181565 | 10.1021/jm7009364 | Acetylcholinesterase | 1 |
| 18181565 | 10.1021/jm7009364 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine