Compound Detail
CHEMBL451335
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 | CHEMBL451335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIFJPSLQRGQNMM-ZETCQYMHSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
137.2
MW (Da)
1.70
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.36 | 4.36 | 43651.6 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.32 | 4.32 | 47863.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.2 | 4.2 | 63095.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 43651.58 | nM | 4.36 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 47863.01 | nM | 4.32 | Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 63095.73 | nM | 4.2 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 18543900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M1 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M2 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M3 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M4 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine