Compound Detail
CHEMBL198669
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Basic Information
| ChEMBL ID | CHEMBL198669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMJTZVTXTCGPDB-BGERDNNASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.82
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 8.08 | 8.08 | 8.4 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 8.4 | nM | 8.08 | Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]p... | 16220976 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 28.0 | nM | 7.55 | Binding affinity for rat salivary gland muscarinic acetylcholine receptor M3 usi... | 16220976 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 440.0 | nM | 6.36 | Binding affinity for rat heart muscarinic acetylcholine receptor M2 using [3H]qu... | 16220976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220976 | 10.1021/jm050099q | Muscarinic acetylcholine receptor M1 | 1 |
| 16220976 | 10.1021/jm050099q | Muscarinic acetylcholine receptor M2 | 1 |
| 16220976 | 10.1021/jm050099q | Muscarinic acetylcholine receptor M3 | 1 |
| 16220976 | 10.1021/jm050099q | Muscarinic receptor M2 and M3 | 1 |
Data from ChEMBL 36 via Core Engine