Compound Detail
CHEMBL112208
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL112208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMJJPIQMPUVCBS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
543.7
MW (Da)
5.73
ALogP
6
HBA
1
HBD
78.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 6.75 | 6.75 | 177.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 177.83 | nM | 6.75 | Antagonistic activity against M2 muscarinic receptor in guinea pig left atrium d... | 7932564 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 1258.93 | nM | 5.9 | 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