Compound Detail
CHEMBL542914
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Basic Information
| ChEMBL ID | CHEMBL542914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPQIIXPQYBFACP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191772 |
| Active Moiety | CHEMBL1191772 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
3.98
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.82 | 6.82 | 151.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 6.26 | 6.26 | 551.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 151.0 | nM | 6.82 | Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat... | 1920350 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 551.0 | nM | 6.26 | Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) recept... | 1920350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1920350 | 10.1021/jm00114a005 | Muscarinic acetylcholine receptor M1 | 1 |
| 1920350 | 10.1021/jm00114a005 | Muscarinic acetylcholine receptor M2 | 1 |
| 1920350 | 10.1021/jm00114a005 | Muscarinic receptor M1 and M2 | 1 |
Data from ChEMBL 36 via Core Engine