Compound Detail
CHEMBL541424
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 | CHEMBL541424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAXFFIHSDRDSKA-KIWYXKPISA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
0.72
ALogP
2
HBA
0
HBD
32.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.03 | 4.6433 | 9332.5 | 3 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.47 | 4.355 | 33884.4 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.03 | 4.03 | 93325.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 9332.54 | nM | 5.03 | Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 15488.17 | nM | 4.81 | Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 33884.42 | nM | 4.47 | Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 57543.99 | nM | 4.24 | Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 81283.05 | nM | 4.09 | Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 93325.43 | nM | 4.03 | Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells | 18182302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M2 | 3 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M5 | 2 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine