Compound Detail
CHEMBL327289
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Basic Information
| ChEMBL ID | CHEMBL327289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNHZKFQJIBIRBV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.61
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 8.21 | 8.065 | 6.2 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 6.2 | nM | 8.21 | Binding affinity against muscarinic receptor in rat brain membranes using oxotre... | 9873644 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 6.2 | nM | 8.21 | Displacement of [3H]oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acety... | 1433209 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 9.0 | nM | 8.05 | Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhi... | 1433209 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 12.0 | nM | 7.92 | Displacement of [3H]pirenzepine (Pz) from rat hippocampus muscarinic acetylcholi... | 1433209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433209 | 10.1021/jm00100a005 | Muscarinic acetylcholine receptor M1 | 4 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor | 1 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine