Compound Detail
CHEMBL355769
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Basic Information
| ChEMBL ID | CHEMBL355769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLYUNLYWGBECRC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.5
MW (Da)
4.93
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.84 | 6.84 | 144.5 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.06 | 6.06 | 871.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.74 | 5.74 | 1819.7 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.66 | 5.66 | 2187.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 144.54 | nM | 6.84 | Binding affinity towards cloned human muscarinic acetylcholine receptor M2 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 870.96 | nM | 6.06 | Binding affinity towards cloned human muscarinic acetylcholine receptor M1 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 1000.0 | nM | 6.0 | Binding affinity towards cloned human muscarinic acetylcholine receptor M4 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 1819.7 | nM | 5.74 | Binding affinity towards cloned human muscarinic acetylcholine receptor M3 stabl... | 12593665 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 2187.76 | nM | 5.66 | 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