Compound Detail
CHEMBL114738
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Basic Information
| ChEMBL ID | CHEMBL114738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLJJUNBAYXKOTR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.8
MW (Da)
5.38
ALogP
5
HBA
4
HBD
71.3
PSA (Ų)
0.15
QED
1
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 7.04 | 7.04 | 91.2 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.81 | 5.81 | 1548.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 91.2 | nM | 7.04 | Antagonistic activity against M2 muscarinic receptor in guinea pig left atrium d... | 7932564 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 1548.82 | nM | 5.81 | 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