Compound Detail
CHEMBL352779
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Basic Information
| ChEMBL ID | CHEMBL352779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOBFJOWTOWSGDG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.31
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.83 | 4.83 | 14791.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.79 | 4.79 | 16218.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.62 | 4.62 | 23988.3 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.57 | 4.57 | 26915.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.34 | 4.34 | 45708.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 14791.08 | nM | 4.83 | Binding affinity towards cloned human muscarinic acetylcholine receptor M2 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 16218.1 | nM | 4.79 | Binding affinity towards cloned human muscarinic acetylcholine receptor M1 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 23988.33 | nM | 4.62 | Binding affinity towards cloned human muscarinic acetylcholine receptor M3 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 26915.35 | nM | 4.57 | Binding affinity towards cloned human muscarinic acetylcholine receptor M4 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 45708.82 | nM | 4.34 | Binding affinity towards cloned human muscarinic acetylcholine receptor M5 stabl... | 12593665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M1 | 1 |
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M2 | 1 |
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M3 | 1 |
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M4 | 1 |
| 12593665 | 10.1021/jm020895l | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine