Compound Detail
CHEMBL115878
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Basic Information
| ChEMBL ID | CHEMBL115878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMWBCGUKIPQQNO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.7
MW (Da)
4.23
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 6.55 | 6.55 | 281.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.12 | 5.12 | 7585.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 281.84 | nM | 6.55 | Antagonistic activity against M2 muscarinic receptor in guinea pig left atrium d... | 7932564 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 7585.78 | nM | 5.12 | Antagonistic activity against M3 muscarinic receptor in guinea pig left ileum de... | 7932564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932564 | 10.1021/jm00046a021 | Muscarinic acetylcholine receptor M2 | 1 |
| 7932564 | 10.1021/jm00046a021 | Muscarinic acetylcholine receptor M3 | 1 |
| 7932564 | 10.1021/jm00046a021 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
Data from ChEMBL 36 via Core Engine